(E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide

Formula:C20H23N3O4S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
MolecularFormula	C20H23N3O4S2
Smiles	O=C(/C=C/c1ccco1)NC(Nc(cc1)ccc1S(N1CCCCCC1)(=O)=O)=S
InChI	InChI=1S/C20H23N3O4S2/c24-19(12-9-17-6-5-15-27-17)22-20(28)21-16-7-10-18(11-8-16)29(25,26)23-13-3-1-2-4-14-23/h5-12,15H,1-4,13-14H2,(H2,21,22,24,28)
InChIK	NGNNOHAHWOAYFI-UHFFFAOYSA-N
TotalMolweight	433.552
Molweight	433.552
MonoisotopicMass	433.112997
CLogP	3.0562
CLogS	-4.09
H Acceptors	7
H Donors	2
TotalSurfaceArea	330.53
Relative PSA	0.3334
PolarSurfaceArea	132.12
Druglikeness	-1.2548
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	6
Amides	2
StereoCon

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