2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

Formula:C20H20N2O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is not a drug-like molecule.

MolName	2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
MolecularFormula	C20H20N2O2Cl2S
Smiles	NC(c1c(NC(/C=C/c(ccc(Cl)c2)c2Cl)=O)sc2c1CCCCCC2)=O
InChI	InChI=1S/C20H20Cl2N2O2S/c21-13-9-7-12(15(22)11-13)8-10-17(25)24-20-18(19(23)26)14-5-3-1-2-4-6-16(14)27-20/h7-11H,1-6H2,(H2,23,26)(H,24,25)
InChIK	NPYJIFNHRLPGLE-UHFFFAOYSA-N
TotalMolweight	423.363
Molweight	423.363
MonoisotopicMass	422.062252
CLogP	5.8512
CLogS	-6.851
H Acceptors	4
H Donors	2
TotalSurfaceArea	310.84
Relative PSA	0.23539
PolarSurfaceArea	100.43
Druglikeness	-2.1295
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Amides	2
StereoCon

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1 - 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide | 2 - 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

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