2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C17H17N3O3S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a drug-like molecule.

MolName	2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C17H17N3O3S2
Smiles	NC(c1c(NC(NC(/C=C/c2ccco2)=O)=S)sc2c1CCCC2)=O
InChI	InChI=1S/C17H17N3O3S2/c18-15(22)14-11-5-1-2-6-12(11)25-16(14)20-17(24)19-13(21)8-7-10-4-3-9-23-10/h3-4,7-9H,1-2,5-6H2,(H2,18,22)(H2,19,20,21,24)
InChIK	UCUDQNSZCCGSPD-UHFFFAOYSA-N
TotalMolweight	375.472
Molweight	375.472
MonoisotopicMass	375.071132
CLogP	2.8077
CLogS	-5.066
H Acceptors	6
H Donors	3
TotalSurfaceArea	286.34
Relative PSA	0.44262
PolarSurfaceArea	157.69
Druglikeness	-2.2401
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	5
Amides	2
StereoCon

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1 - 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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