MMsINC Database Search


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MMsINC code: MMs02348217

Type: Neutral
Formula: C₂₃H₂₁NO₂

SMILES:

O=C(C)c1ccccc1NC(=O)C(C)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H21NO2/c1-17(25)20-15-9-10-16-21(20)24-22(26)23(2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16H,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.322 kcal/mol

Physical Properties
Molecular Weight: 343.426 g/mol	logS: -5.57284	SlogP: 4.8339	Reactive groups: 0

Topological Properties
Globularity: 0.130731	Sterimol/B1: 3.9243	Sterimol/B2: 4.36273	Sterimol/B3: 4.57109
Sterimol/B4: 7.53356	Sterimol/L: 14.1787

Surface and Volume Properties
Accessible surface: 583.435	Positive charged surface: 338.132	Negative charged surface: 245.303	Volume: 347.5
Hydrophobic surface: 536.737	Hydrophilic surface: 46.698

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: no related molecules available.