[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Formula:C20H19N3O6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
MolecularFormula	C20H19N3O6S2
Smiles	N#Cc1c(NC(COC(/C=C/c(cc2)ccc2S(N2CCOCC2)(=O)=O)=O)=O)scc1
InChI	InChI=1S/C20H19N3O6S2/c21-13-16-7-12-30-20(16)22-18(24)14-29-19(25)6-3-15-1-4-17(5-2-15)31(26,27)23-8-10-28-11-9-23/h1-7,12H,8-11,14H2,(H,22,24)
InChIK	JWHKOFMQZXOYPO-UHFFFAOYSA-N
TotalMolweight	461.518
Molweight	461.518
MonoisotopicMass	461.071527
CLogP	1.5466
CLogS	-3.43
H Acceptors	9
H Donors	1
TotalSurfaceArea	338.31
Relative PSA	0.36532
PolarSurfaceArea	162.42
Druglikeness	-1.6367
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	5
Amides	2
StereoCon

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