MMsINC Database Search


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MMsINC code: MMs00647293

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

O(C(=O)N(c1ccccc1)c1ccccc1)c1c2nc(ccc2ccc1)C

InChI:

InChI=1/C23H18N2O2/c1-17-15-16-18-9-8-14-21(22(18)24-17)27-23(26)25(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.764 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -6.01592	SlogP: 5.88032	Reactive groups: 0

Topological Properties
Globularity: 0.322487	Sterimol/B1: 2.17595	Sterimol/B2: 4.24736	Sterimol/B3: 7.47047
Sterimol/B4: 8.16827	Sterimol/L: 14.3163

Surface and Volume Properties
Accessible surface: 619.515	Positive charged surface: 344.799	Negative charged surface: 269.46	Volume: 350.625
Hydrophobic surface: 590.845	Hydrophilic surface: 28.67

Pharmacophoric Properties
Hydrogen bond donors: 0	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.