benzyl 4-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]butanoate

Formula:C27H25N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none benzyl 4-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]butanoate is not a drug-like molecule.

MolName	benzyl 4-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]butanoate
MolecularFormula	C27H25N2O4Br
Smiles	O=C(CCCNC(/C(/NC(c1ccccc1)=O)=C\c(cc1)ccc1Br)=O)OCc1ccccc1
InChI	InChI=1S/C27H25BrN2O4/c28-23-15-13-20(14-16-23)18-24(30-26(32)22-10-5-2-6-11-22)27(33)29-17-7-12-25(31)34-19-21-8-3-1-4-9-21/h1-6,8-11,13-16,18H,7,12,17,19H2,(H,29,33)(H,30,32)
InChIK	ZTAGNSBWWZPKCI-UHFFFAOYSA-N
TotalMolweight	521.41
Molweight	521.41
MonoisotopicMass	520.099769
CLogP	5.3251
CLogS	-5.966
H Acceptors	6
H Donors	2
TotalSurfaceArea	377.33
Relative PSA	0.19092
PolarSurfaceArea	84.5
Druglikeness	-2.9378
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	11
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	6
Amides	2
StereoCon

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