MMsINC Database Search


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MMsINC code: MMs00715636

Type: Neutral
Formula: C₂₀H₁₈N₂O₂

SMILES:

O(c1ccc(NC(=O)Nc2ccc(cc2)C)cc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.3175 kcal/mol

Physical Properties
Molecular Weight: 318.376 g/mol	logS: -5.50868	SlogP: 5.43132	Reactive groups: 0

Topological Properties
Globularity: 0.032754	Sterimol/B1: 2.45129	Sterimol/B2: 2.90682	Sterimol/B3: 4.11699
Sterimol/B4: 5.20246	Sterimol/L: 20.1383

Surface and Volume Properties
Accessible surface: 600.884	Positive charged surface: 353.975	Negative charged surface: 246.909	Volume: 315.25
Hydrophobic surface: 541.841	Hydrophilic surface: 59.043

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.