N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)azetidine-2-carboxamide

Formula:C28H33N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)azetidine-2-carboxamide is not a drug-like molecule.

MolName	N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)azetidine-2-carboxamide
MolecularFormula	C28H33N3O4S
Smiles	O=C(C(CC1=O)(/C=C/c2ccccc2)N1c(cc1)ccc1S(N1CCCC1)(=O)=O)NC1CCCCC1
InChI	InChI=1S/C28H33N3O4S/c32-26-21-28(18-17-22-9-3-1-4-10-22,27(33)29-23-11-5-2-6-12-23)31(26)24-13-15-25(16-14-24)36(34,35)30-19-7-8-20-30/h1,3-4,9-10,13-18,23H,2,5-8,11-12,19-21H2,(H,29,33)/t28-/m1/s1
InChIK	UMVATYMFFAWWDT-MUUNZHRXSA-N
TotalMolweight	507.653
Molweight	507.653
MonoisotopicMass	507.219177
CLogP	3.736
CLogS	-4.943
H Acceptors	7
H Donors	1
TotalSurfaceArea	375.67
Relative PSA	0.19491
PolarSurfaceArea	95.17
Druglikeness	1.443
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	9
Amides	3
StereoCon	racemate

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