(4Z)-4-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid

Formula:C26H25N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid is a drug-like molecule.

MolName(4Z)-4-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid
MolecularFormulaC26H25N3O4
SmilesOC(CC/C(/c1ccccc1)=N/NC(CNC(C(c1ccccc1)c1ccccc1)=O)=O)=O
InChIInChI=1S/C26H25N3O4/c30-23(29-28-22(16-17-24(31)32)19-10-4-1-5-11-19)18-27-26(33)25(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,25H,16-18H2,(H,27,33)(H,29,30)(H,31,32)
InChIKORJKJVHOIJUDHN-UHFFFAOYSA-N
TotalMolweight443.502
Molweight443.502
MonoisotopicMass443.184507
CLogP3.3814
CLogS-4.977
H Acceptors7
H Donors3
TotalSurfaceArea352.05
Relative PSA0.24613
PolarSurfaceArea107.86
Druglikeness4.0589
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.48485
Fragments1
Non HAtoms33
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond10
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms5
Symmetricatoms10
Amides1
AcidicOxygens1
StereoCon

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