2-sulfanylidene-7-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidin-4-one

Formula:C12H6N3OF3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-sulfanylidene-7-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	2-sulfanylidene-7-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidin-4-one
MolecularFormula	C12H6N3OF3S2
Smiles	O=C(c(c(C(F)(F)F)c1)c(N2)nc1-c1cccs1)NC2=S
InChI	InChI=1S/C12H6F3N3OS2/c13-12(14,15)5-4-6(7-2-1-3-21-7)16-9-8(5)10(19)18-11(20)17-9/h1-4H,(H2,16,17,18,19,20)
InChIK	RDOYIIXOUOZADA-UHFFFAOYSA-N
TotalMolweight	329.326
Molweight	329.326
MonoisotopicMass	328.990436
CLogP	2.845
CLogS	-4.794
H Acceptors	4
H Donors	2
TotalSurfaceArea	217.06
Relative PSA	0.439
PolarSurfaceArea	114.35
Druglikeness	-4.3607
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.42857
Fragments	1
Non HAtoms	21
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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