[2-benzoyloxy-4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate

Formula:C37H29N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-benzoyloxy-4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.

MolName	[2-benzoyloxy-4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
MolecularFormula	C37H29N3O6
Smiles	O=C(CNC(C(c1ccccc1)c1ccccc1)=O)N/N=C\c(cc1)cc(OC(c2ccccc2)=O)c1OC(c1ccccc1)=O
InChI	InChI=1S/C37H29N3O6/c41-33(25-38-35(42)34(27-13-5-1-6-14-27)28-15-7-2-8-16-28)40-39-24-26-21-22-31(45-36(43)29-17-9-3-10-18-29)32(23-26)46-37(44)30-19-11-4-12-20-30/h1-24,34H,25H2,(H,38,42)(H,40,41)
InChIK	KLTMCCXOBURSKH-UHFFFAOYSA-N
TotalMolweight	611.652
Molweight	611.652
MonoisotopicMass	611.205637
CLogP	6.672
CLogS	-7.542
H Acceptors	9
H Donors	2
TotalSurfaceArea	477.24
Relative PSA	0.22335
PolarSurfaceArea	123.16
Druglikeness	6.0379
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.47826
Fragments	1
Non HAtoms	46
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	13
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	30
Sp3Atoms	4
Symmetricatoms	12
Amides	1
StereoCon

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