2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Formula:C18H17N3O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is a drug-like molecule.

MolName	2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
MolecularFormula	C18H17N3O2S2
Smiles	NC(c1c(NC(NC(/C=C/c2ccccc2)=O)=S)sc2c1CCC2)=O
InChI	InChI=1S/C18H17N3O2S2/c19-16(23)15-12-7-4-8-13(12)25-17(15)21-18(24)20-14(22)10-9-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H2,19,23)(H2,20,21,22,24)
InChIK	UXYXZCMDMQBAFL-UHFFFAOYSA-N
TotalMolweight	371.484
Molweight	371.484
MonoisotopicMass	371.076217
CLogP	3.277
CLogS	-5.114
H Acceptors	5
H Donors	3
TotalSurfaceArea	282.89
Relative PSA	0.39814
PolarSurfaceArea	144.55
Druglikeness	0.035971
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
Amides	2
StereoCon

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1 - 2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide | 2 - 2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

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