42 MQN descriptors, one production-ready library.
Each chart renders the MQN distribution for each database. So far only Enamine is available. ChEMBL, PubChem, and ZINC overlays will appear here once their descriptor exports are ready.
REAL Database
carbon
Range 1 – 34
fluorine
Range 0 – 18
chlorine
Range 0 – 9
bromine
Range 0 – 5
iodine
Range 0 – 3
sulfur
Range 0 – 7
phosphorus
Range 0 – 4
acyclic nitrogen
Range 0 – 9
cyclic nitrogen
Range 0 – 14
acyclic oxygen
Range 0 – 11
cyclic oxygen
Range 0 – 8
heavy atom count
Range 10 – 44
acyclic single bonds
Range 0 – 31
acyclic double bonds
Range 0 – 10
acyclic triple bonds
Range 0 – 6
cyclic single bonds
Range 0 – 40
cyclic double bonds
Range 0 – 20
cyclic triple bonds
Range 0 – 2
rotatable bond count
Range 0 – 15
H-bond acceptor sites
Range 0 – 24
H-bond acceptor atoms
Range 0 – 15
H-bond donor sites
Range 0 – 10
H-bond donor atoms
Range 0 – 7
negative charges
Range 0 – 4
positive charges
Range 0 – 4
acyclic monovalent nodes
Range 0 – 21
acyclic divalent nodes
Range 0 – 19
acyclic trivalent nodes
Range 0 – 13
acyclic tetravalent nodes
Range 0 – 9
cyclic divalent nodes
Range 0 – 29
cyclic trivalent nodes
Range 0 – 21
cyclic tetravalent nodes
Range 0 – 9
3-membered rings
Range 0 – 13
4-membered rings
Range 0 – 11
5-membered rings
Range 0 – 11
6-membered rings
Range 0 – 13
7-membered rings
Range 0 – 6
8-membered rings
Range 0 – 4
9-membered rings
Range 0 – 3
≥10 membered rings
Range 0 – 3
atoms shared by fused rings
Range 0 – 28
bonds shared by fused rings
Range 0 – 32