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MMsINC code: MMs02640378

Type: Neutral
Formula: C₂₂H₁₉NO₃

SMILES:

OC(=O)c1ccc(NC(CC(=O)c2ccccc2)c2ccccc2)cc1

InChI:

InChI=1/C22H19NO3/c24-21(17-9-5-2-6-10-17)15-20(16-7-3-1-4-8-16)23-19-13-11-18(12-14-19)22(25)26/h1-14,20,23H,15H2,(H,25,26)/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3864 kcal/mol

Physical Properties
Molecular Weight: 345.398 g/mol	logS: -4.89981	SlogP: 4.9065	Reactive groups: 0

Topological Properties
Globularity: 0.0963361	Sterimol/B1: 2.49079	Sterimol/B2: 3.78604	Sterimol/B3: 3.8544
Sterimol/B4: 9.6678	Sterimol/L: 17.2234

Surface and Volume Properties
Accessible surface: 623.783	Positive charged surface: 340.058	Negative charged surface: 283.725	Volume: 338.625
Hydrophobic surface: 496.887	Hydrophilic surface: 126.896

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02640379
PUBCHEM-ZINC00213770