(E)-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide

Formula:C22H19N3O3S3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
MolecularFormula	C22H19N3O3S3
Smiles	O=C(/C=C/c1cccs1)NC(Nc(cc1)ccc1S(N(CC1)c2c1cccc2)(=O)=O)=S
InChI	InChI=1S/C22H19N3O3S3/c26-21(12-9-18-5-3-15-30-18)24-22(29)23-17-7-10-19(11-8-17)31(27,28)25-14-13-16-4-1-2-6-20(16)25/h1-12,15H,13-14H2,(H2,23,24,26,29)
InChIK	KRLYJNVYOXQOHU-UHFFFAOYSA-N
TotalMolweight	469.609
Molweight	469.609
MonoisotopicMass	469.058852
CLogP	3.8019
CLogS	-5.845
H Acceptors	6
H Donors	2
TotalSurfaceArea	341.5
Relative PSA	0.341
PolarSurfaceArea	147.22
Druglikeness	5.2453
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	3
Amides	2
StereoCon

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