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

Formula:C20H26N2O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(cyclopropylamino)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate is a drug-like molecule.

MolName	[2-(cyclopropylamino)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
MolecularFormula	C20H26N2O5S
Smiles	O=C(COC(/C=C/c(cc1)ccc1S(N1CCCCCC1)(=O)=O)=O)NC1CC1
InChI	InChI=1S/C20H26N2O5S/c23-19(21-17-8-9-17)15-27-20(24)12-7-16-5-10-18(11-6-16)28(25,26)22-13-3-1-2-4-14-22/h5-7,10-12,17H,1-4,8-9,13-15H2,(H,21,23)
InChIK	QEEYBAHBRMOLBS-UHFFFAOYSA-N
TotalMolweight	406.501
Molweight	406.501
MonoisotopicMass	406.156243
CLogP	2.064
CLogS	-3.023
H Acceptors	7
H Donors	1
TotalSurfaceArea	304.94
Relative PSA	0.26126
PolarSurfaceArea	101.16
Druglikeness	-0.57202
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	12
Symmetricatoms	7
Amides	2
StereoCon

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

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