[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Formula:C23H31N3O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate is a drug-like molecule.

MolName	[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
MolecularFormula	C23H31N3O6S
Smiles	O=C(COC(/C=C/c(cc1)ccc1S(N1CCCCCC1)(=O)=O)=O)NC(NC1CCCC1)=O
InChI	InChI=1S/C23H31N3O6S/c27-21(25-23(29)24-19-7-3-4-8-19)17-32-22(28)14-11-18-9-12-20(13-10-18)33(30,31)26-15-5-1-2-6-16-26/h9-14,19H,1-8,15-17H2,(H2,24,25,27,29)
InChIK	DQOPRENSDRSNMQ-UHFFFAOYSA-N
TotalMolweight	477.58
Molweight	477.58
MonoisotopicMass	477.193357
CLogP	2.5337
CLogS	-4.024
H Acceptors	9
H Donors	2
TotalSurfaceArea	361.67
Relative PSA	0.28802
PolarSurfaceArea	130.26
Druglikeness	-0.17223
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	14
Symmetricatoms	8
Amides	3
StereoCon

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1 - [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate | 2 - [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

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