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

Formula:C25H34N2O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate is a drug-like molecule.

MolName	[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
MolecularFormula	C25H34N2O5S
Smiles	O=C(COC(/C=C/c(cc1)ccc1S(N1CCCCCC1)(=O)=O)=O)NCCC1=CCCCC1
InChI	InChI=1S/C25H34N2O5S/c28-24(26-17-16-21-8-4-3-5-9-21)20-32-25(29)15-12-22-10-13-23(14-11-22)33(30,31)27-18-6-1-2-7-19-27/h8,10-15H,1-7,9,16-20H2,(H,26,28)
InChIK	DQDKFBYBOWZCTP-UHFFFAOYSA-N
TotalMolweight	474.62
Molweight	474.62
MonoisotopicMass	474.218843
CLogP	3.6346
CLogS	-3.891
H Acceptors	7
H Donors	1
TotalSurfaceArea	372.19
Relative PSA	0.21406
PolarSurfaceArea	101.16
Druglikeness	-1.8477
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	15
Symmetricatoms	6
Amides	2
StereoCon

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

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