3-[[(E)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoic acid

Formula:C27H20N2O4 Mutagenic:none Tumorigenic:high Reproductive Effective:none 3-[[(E)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoic acid is not a drug-like molecule.

MolName	3-[[(E)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoic acid
MolecularFormula	C27H20N2O4
Smiles	OC(c1cc(NC(/C(/NC(c2cccc3ccccc23)=O)=C\c2ccccc2)=O)ccc1)=O
InChI	InChI=1S/C27H20N2O4/c30-25(23-15-7-11-19-10-4-5-14-22(19)23)29-24(16-18-8-2-1-3-9-18)26(31)28-21-13-6-12-20(17-21)27(32)33/h1-17H,(H,28,31)(H,29,30)(H,32,33)
InChIK	LGFAZDVUSBOXKR-UHFFFAOYSA-N
TotalMolweight	436.466
Molweight	436.466
MonoisotopicMass	436.142308
CLogP	5.1033
CLogS	-6.492
H Acceptors	6
H Donors	3
TotalSurfaceArea	334.61
Relative PSA	0.22456
PolarSurfaceArea	95.5
Druglikeness	2.8671
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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