(3S)-3-[(4-chlorobenzoyl)amino]-3-(4-cyclopentyloxyphenyl)propanoic acid

Formula:C21H22NO4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (3S)-3-[(4-chlorobenzoyl)amino]-3-(4-cyclopentyloxyphenyl)propanoic acid is a drug-like molecule.

MolName	(3S)-3-[(4-chlorobenzoyl)amino]-3-(4-cyclopentyloxyphenyl)propanoic acid
MolecularFormula	C21H22NO4Cl
Smiles	OC(C[C@@H](c(cc1)ccc1OC1CCCC1)NC(c(cc1)ccc1Cl)=O)=O
InChI	InChI=1S/C21H22ClNO4/c22-16-9-5-15(6-10-16)21(26)23-19(13-20(24)25)14-7-11-18(12-8-14)27-17-3-1-2-4-17/h5-12,17,19H,1-4,13H2,(H,23,26)(H,24,25)/t19-/m0/s1
InChIK	PNLRZNSTMBNSOY-IBGZPJMESA-N
TotalMolweight	387.862
Molweight	387.862
MonoisotopicMass	387.123736
CLogP	3.731
CLogS	-4.818
H Acceptors	5
H Donors	2
TotalSurfaceArea	292.05
Relative PSA	0.20764
PolarSurfaceArea	75.63
Druglikeness	0.31596
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	6
Amides	1
AcidicOxygens	1
StereoCon	this enantiomer

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