(4Z)-4-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]hydrazinylidene]butanoic acid

Formula:C20H21N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]hydrazinylidene]butanoic acid is a drug-like molecule.

MolName(4Z)-4-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]hydrazinylidene]butanoic acid
MolecularFormulaC20H21N3O4
SmilesOC(CC/C(/c1ccccc1)=N/NC(CNC(Cc1ccccc1)=O)=O)=O
InChIInChI=1S/C20H21N3O4/c24-18(13-15-7-3-1-4-8-15)21-14-19(25)23-22-17(11-12-20(26)27)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,21,24)(H,23,25)(H,26,27)
InChIKYMCSBEUNRFJUEA-UHFFFAOYSA-N
TotalMolweight367.404
Molweight367.404
MonoisotopicMass367.153207
CLogP1.8538
CLogS-3.828
H Acceptors7
H Donors3
TotalSurfaceArea293.55
Relative PSA0.29518
PolarSurfaceArea107.86
Druglikeness3.4913
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.59259
Fragments1
Non HAtoms27
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond9
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms5
Symmetricatoms4
Amides1
AcidicOxygens1
StereoCon

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