[3-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]phenyl] (E)-3-phenylprop-2-enoate

Formula:C26H22N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]phenyl] (E)-3-phenylprop-2-enoate is a drug-like molecule.

MolName	[3-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]phenyl] (E)-3-phenylprop-2-enoate
MolecularFormula	C26H22N2O4
Smiles	O=C(C(CC1=O)CN1c1ccccc1)Nc1cc(OC(/C=C/c2ccccc2)=O)ccc1
InChI	InChI=1S/C26H22N2O4/c29-24-16-20(18-28(24)22-11-5-2-6-12-22)26(31)27-21-10-7-13-23(17-21)32-25(30)15-14-19-8-3-1-4-9-19/h1-15,17,20H,16,18H2,(H,27,31)/t20-/m1/s1
InChIK	WLNMAQFTXWQUKP-HXUWFJFHSA-N
TotalMolweight	426.471
Molweight	426.471
MonoisotopicMass	426.157958
CLogP	3.9995
CLogS	-5.294
H Acceptors	6
H Donors	1
TotalSurfaceArea	330.81
Relative PSA	0.19386
PolarSurfaceArea	75.71
Druglikeness	2.8865
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
Amides	2
StereoCon	racemate

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