4-[[(E)-2-[(4-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]butanoic acid

Formula:C20H18N2O4BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-2-[(4-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]butanoic acid is a drug-like molecule.

MolName	4-[[(E)-2-[(4-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]butanoic acid
MolecularFormula	C20H18N2O4BrCl
Smiles	OC(CCCNC(/C(/NC(c(cc1)ccc1Br)=O)=C\c(cc1)ccc1Cl)=O)=O
InChI	InChI=1S/C20H18BrClN2O4/c21-15-7-5-14(6-8-15)19(27)24-17(12-13-3-9-16(22)10-4-13)20(28)23-11-1-2-18(25)26/h3-10,12H,1-2,11H2,(H,23,28)(H,24,27)(H,25,26)
InChIK	DRKNZYJLNHTDTL-UHFFFAOYSA-N
TotalMolweight	465.73
Molweight	465.73
MonoisotopicMass	464.013846
CLogP	4.0851
CLogS	-5.251
H Acceptors	6
H Donors	3
TotalSurfaceArea	315.58
Relative PSA	0.2381
PolarSurfaceArea	95.5
Druglikeness	-0.60688
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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