6-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]hexanoic acid

Formula:C22H23N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]hexanoic acid is a drug-like molecule.

MolName	6-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]hexanoic acid
MolecularFormula	C22H23N2O4Cl
Smiles	OC(CCCCCNC(/C(/NC(c1ccccc1)=O)=C/c(cc1)ccc1Cl)=O)=O
InChI	InChI=1S/C22H23ClN2O4/c23-18-12-10-16(11-13-18)15-19(25-21(28)17-7-3-1-4-8-17)22(29)24-14-6-2-5-9-20(26)27/h1,3-4,7-8,10-13,15H,2,5-6,9,14H2,(H,24,29)(H,25,28)(H,26,27)
InChIK	OMPOAXXMIJVQRE-UHFFFAOYSA-N
TotalMolweight	414.888
Molweight	414.888
MonoisotopicMass	414.134635
CLogP	4.2687
CLogS	-4.957
H Acceptors	6
H Donors	3
TotalSurfaceArea	324.47
Relative PSA	0.23158
PolarSurfaceArea	95.5
Druglikeness	-7.5084
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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