MMsINC Database Search


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MMsINC code: MMs00683827

Type: Neutral
Formula: C₁₉H₁₅NO₂

SMILES:

Oc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1

InChI:

InChI=1/C19H15NO2/c21-18-12-10-17(11-13-18)20-19(22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,21H,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.8557 kcal/mol

Physical Properties
Molecular Weight: 289.334 g/mol	logS: -5.4193	SlogP: 4.3115	Reactive groups: 0

Topological Properties
Globularity: 0.00682563	Sterimol/B1: 2.56991	Sterimol/B2: 2.68119	Sterimol/B3: 3.55937
Sterimol/B4: 4.37805	Sterimol/L: 19.0821

Surface and Volume Properties
Accessible surface: 545.176	Positive charged surface: 274.082	Negative charged surface: 260.023	Volume: 287.375
Hydrophobic surface: 458.514	Hydrophilic surface: 86.662

Pharmacophoric Properties
Hydrogen bond donors: 2	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.