benzyl 3-[[(E)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate

Formula:C26H23N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none benzyl 3-[[(E)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate is a drug-like molecule.

MolName	benzyl 3-[[(E)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate
MolecularFormula	C26H23N2O4Cl
Smiles	O=C(CCNC(/C(/NC(c1ccccc1)=O)=C\c(cc1)ccc1Cl)=O)OCc1ccccc1
InChI	InChI=1S/C26H23ClN2O4/c27-22-13-11-19(12-14-22)17-23(29-25(31)21-9-5-2-6-10-21)26(32)28-16-15-24(30)33-18-20-7-3-1-4-8-20/h1-14,17H,15-16,18H2,(H,28,32)(H,29,31)
InChIK	MTKQLRNIBGKCST-UHFFFAOYSA-N
TotalMolweight	462.932
Molweight	462.932
MonoisotopicMass	462.134635
CLogP	4.7515
CLogS	-5.598
H Acceptors	6
H Donors	2
TotalSurfaceArea	360.36
Relative PSA	0.19991
PolarSurfaceArea	84.5
Druglikeness	2.3234
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	6
Amides	2
StereoCon

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