7-amino-4-oxo-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile

Formula:C14H9N5OS Mutagenic:none Tumorigenic:none Reproductive Effective:high 7-amino-4-oxo-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile is a drug-like molecule.

MolName	7-amino-4-oxo-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
MolecularFormula	C14H9N5OS
Smiles	Nc(c(C#N)c1-c2ccccc2)nc(NC(N2)=S)c1C2=O
InChI	InChI=1S/C14H9N5OS/c15-6-8-9(7-4-2-1-3-5-7)10-12(17-11(8)16)18-14(21)19-13(10)20/h1-5H,(H4,16,17,18,19,20,21)
InChIK	ZMODJCUVVCXZRR-UHFFFAOYSA-N
TotalMolweight	295.325
Molweight	295.325
MonoisotopicMass	295.05278
CLogP	1.3919
CLogS	-5.777
H Acceptors	6
H Donors	3
TotalSurfaceArea	221.89
Relative PSA	0.46762
PolarSurfaceArea	135.92
Druglikeness	-3.7694
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.47619
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	1
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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