MMsINC Database Search


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MMsINC code: MMs00669867

Type: Neutral
Formula: C₂₄H₁₉NO₂

SMILES:

O(Cc1ccc(cc1)C(=O)Nc1c2c(ccc1)cccc2)c1ccccc1

InChI:

InChI=1/C24H19NO2/c26-24(25-23-12-6-8-19-7-4-5-11-22(19)23)20-15-13-18(14-16-20)17-27-21-9-2-1-3-10-21/h1-16H,17H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.101 kcal/mol

Physical Properties
Molecular Weight: 353.421 g/mol	logS: -7.05103	SlogP: 5.9375	Reactive groups: 0

Topological Properties
Globularity: 0.0254237	Sterimol/B1: 3.31411	Sterimol/B2: 3.40025	Sterimol/B3: 4.35298
Sterimol/B4: 5.47447	Sterimol/L: 20.539

Surface and Volume Properties
Accessible surface: 648.548	Positive charged surface: 339.168	Negative charged surface: 299.162	Volume: 353
Hydrophobic surface: 604.485	Hydrophilic surface: 44.063

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.