4-[5-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl]benzoic acid

Formula:C24H16N4O3 Mutagenic:low Tumorigenic:high Reproductive Effective:none 4-[5-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	4-[5-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl]benzoic acid
MolecularFormula	C24H16N4O3
Smiles	CC(/C(/c1c(C)c(C#N)c(N)nc11)=C\c2ccc(-c(cc3)ccc3C(O)=O)o2)=C1C#N
InChI	InChI=1S/C24H16N4O3/c1-12-17(21-13(2)19(11-26)23(27)28-22(21)18(12)10-25)9-16-7-8-20(31-16)14-3-5-15(6-4-14)24(29)30/h3-9H,1-2H3,(H2,27,28)(H,29,30)/b17-9+
InChIK	WPBMKMXMEFLDDJ-RQZCQDPDSA-N
TotalMolweight	408.416
Molweight	408.416
MonoisotopicMass	408.122241
CLogP	2.7317
CLogS	-6.356
H Acceptors	7
H Donors	2
TotalSurfaceArea	315.92
Relative PSA	0.29631
PolarSurfaceArea	136.93
Druglikeness	-3.2135
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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