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MMsINC code: MMs02772853

Type: Neutral
Formula: C₂₂H₁₉NO₃

SMILES:

OC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1C

InChI:

InChI=1/C22H19NO3/c1-15-18(22(25)26)13-8-14-19(15)23-21(24)20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14,20H,1H3,(H,23,24)(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.014 kcal/mol

Physical Properties
Molecular Weight: 345.398 g/mol	logS: -5.18867	SlogP: 4.46382	Reactive groups: 0

Topological Properties
Globularity: 0.110334	Sterimol/B1: 3.18576	Sterimol/B2: 4.64828	Sterimol/B3: 4.93385
Sterimol/B4: 6.80637	Sterimol/L: 16.0295

Surface and Volume Properties
Accessible surface: 587.72	Positive charged surface: 337.758	Negative charged surface: 249.962	Volume: 339
Hydrophobic surface: 479.735	Hydrophilic surface: 107.985

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02772854
PUBCHEM-ZINC01115754