2-[[(E)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Formula:C27H22N3O4F Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid is a drug-like molecule.

MolName	2-[[(E)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid
MolecularFormula	C27H22N3O4F
Smiles	OC(C(Cc1c[nH]c2c1cccc2)NC(/C(/NC(c1ccccc1)=O)=C\c(cc1)ccc1F)=O)=O
InChI	InChI=1S/C27H22FN3O4/c28-20-12-10-17(11-13-20)14-23(30-25(32)18-6-2-1-3-7-18)26(33)31-24(27(34)35)15-19-16-29-22-9-5-4-8-21(19)22/h1-14,16,24,29H,15H2,(H,30,32)(H,31,33)(H,34,35)/t24-/m0/s1
InChIK	WMROGXGPDXTMBI-DEOSSOPVSA-N
TotalMolweight	471.487
Molweight	471.487
MonoisotopicMass	471.159435
CLogP	3.7865
CLogS	-5.493
H Acceptors	7
H Donors	4
TotalSurfaceArea	356.79
Relative PSA	0.24981
PolarSurfaceArea	111.29
Druglikeness	-9.1032
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon	racemate

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1 - 2-[[(E)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid | 2 - 2-[[(E)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid

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