2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile

Formula:C28H20N2O3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile is not a drug-like molecule.

MolName	2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
MolecularFormula	C28H20N2O3Cl2S
Smiles	COc(cc1)ccc1-c(cc(-c(cc1)ccc1OC)nc1SCC(c(cc2)cc(Cl)c2Cl)=O)c1C#N
InChI	InChI=1S/C28H20Cl2N2O3S/c1-34-20-8-3-17(4-9-20)22-14-26(18-5-10-21(35-2)11-6-18)32-28(23(22)15-31)36-16-27(33)19-7-12-24(29)25(30)13-19/h3-14H,16H2,1-2H3
InChIK	ZXJHLCRWIJKYGR-UHFFFAOYSA-N
TotalMolweight	535.45
Molweight	535.45
MonoisotopicMass	534.057167
CLogP	6.6009
CLogS	-9.125
H Acceptors	5
TotalSurfaceArea	397.37
Relative PSA	0.18889
PolarSurfaceArea	97.51
Druglikeness	-4.0755
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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1 - 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile | 2 - 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile

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