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

Formula:C20H21N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[[(Z)-3-(4-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]hexanoic acid is a drug-like molecule.

MolName	6-[[(Z)-3-(4-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]hexanoic acid
MolecularFormula	C20H21N2O5Cl
Smiles	OC(CCCCCNC(/C(/NC(c1ccco1)=O)=C/c(cc1)ccc1Cl)=O)=O
InChI	InChI=1S/C20H21ClN2O5/c21-15-9-7-14(8-10-15)13-16(23-20(27)17-5-4-12-28-17)19(26)22-11-3-1-2-6-18(24)25/h4-5,7-10,12-13H,1-3,6,11H2,(H,22,26)(H,23,27)(H,24,25)
InChIK	ACACIOVRJIBTPI-UHFFFAOYSA-N
TotalMolweight	404.849
Molweight	404.849
MonoisotopicMass	404.1139
CLogP	3.4574
CLogS	-4.639
H Acceptors	7
H Donors	3
TotalSurfaceArea	314.16
Relative PSA	0.28409
PolarSurfaceArea	108.64
Druglikeness	-7.3262
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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