(4R)-5-acetyl-2-[2-(2,5-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile

Formula:C23H18N2O2Cl2S Mutagenic:none Tumorigenic:high Reproductive Effective:high (4R)-5-acetyl-2-[2-(2,5-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile is not a drug-like molecule.

MolName	(4R)-5-acetyl-2-[2-(2,5-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile
MolecularFormula	C23H18N2O2Cl2S
Smiles	CC(C([C@H]1c2ccccc2)=C(C)NC(SCC(c(cc(cc2)Cl)c2Cl)=O)=C1C#N)=O
InChI	InChI=1S/C23H18Cl2N2O2S/c1-13-21(14(2)28)22(15-6-4-3-5-7-15)18(11-26)23(27-13)30-12-20(29)17-10-16(24)8-9-19(17)25/h3-10,22,27H,12H2,1-2H3/t22-/m0/s1
InChIK	ATECWYFPVAMOQF-QFIPXVFZSA-N
TotalMolweight	457.38
Molweight	457.38
MonoisotopicMass	456.046602
CLogP	5.283
CLogS	-7.131
H Acceptors	4
H Donors	1
TotalSurfaceArea	333.14
Relative PSA	0.20589
PolarSurfaceArea	95.26
Druglikeness	-1.9728
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
StereoCon	this enantiomer

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1 - (4R)-5-acetyl-2-[2-(2,5-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile | 2 - (4R)-5-acetyl-2-[2-(2,5-dichlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile

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