MMsINC Database Search


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MMsINC code: MMs02651165

Type: Neutral
Formula: C₂₀H₁₈N₂O₂

SMILES:

O(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)Cc1ccncc1

InChI:

InChI=1/C20H18N2O2/c1-24-19-8-4-17(5-9-19)20(23)22-18-6-2-15(3-7-18)14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.751 kcal/mol

Physical Properties
Molecular Weight: 318.376 g/mol	logS: -4.26349	SlogP: 3.93327	Reactive groups: 0

Topological Properties
Globularity: 0.0425618	Sterimol/B1: 3.04995	Sterimol/B2: 3.77275	Sterimol/B3: 4.22725
Sterimol/B4: 5.49804	Sterimol/L: 19.0264

Surface and Volume Properties
Accessible surface: 591.408	Positive charged surface: 397.879	Negative charged surface: 193.529	Volume: 317.625
Hydrophobic surface: 527.101	Hydrophilic surface: 64.307

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