5-[3-carboxy-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid

Formula:C32H24N2O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-[3-carboxy-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid is not a drug-like molecule.

MolName	5-[3-carboxy-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
MolecularFormula	C32H24N2O6
Smiles	OC(c(cc(cc1)-c(cc2)cc(C(O)=O)c2NC(/C=C/c2ccccc2)=O)c1NC(/C=C/c1ccccc1)=O)=O
InChI	InChI=1S/C32H24N2O6/c35-29(17-11-21-7-3-1-4-8-21)33-27-15-13-23(19-25(27)31(37)38)24-14-16-28(26(20-24)32(39)40)34-30(36)18-12-22-9-5-2-6-10-22/h1-20H,(H,33,35)(H,34,36)(H,37,38)(H,39,40)
InChIK	ZKNDDEJKFKNPLB-UHFFFAOYSA-N
TotalMolweight	532.551
Molweight	532.551
MonoisotopicMass	532.163438
CLogP	5.2424
CLogS	-7.492
H Acceptors	8
H Donors	4
TotalSurfaceArea	412.16
Relative PSA	0.24573
PolarSurfaceArea	132.8
Druglikeness	-0.49361
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	40
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	22
Amides	2
AcidicOxygens	2
StereoCon

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