MMsINC Database Search


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MMsINC code: MMs00758858

Type: Neutral
Formula: C₂₃H₁₈N₂O

SMILES:

O(c1ccc(cc1)-c1ccccc1)c1nc(nc(c1)C)-c1ccccc1

InChI:

InChI=1/C23H18N2O/c1-17-16-22(25-23(24-17)20-10-6-3-7-11-20)26-21-14-12-19(13-15-21)18-8-4-2-5-9-18/h2-16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.5201 kcal/mol

Physical Properties
Molecular Weight: 338.41 g/mol	logS: -7.80714	SlogP: 5.91132	Reactive groups: 0

Topological Properties
Globularity: 0.0633473	Sterimol/B1: 2.88508	Sterimol/B2: 3.56007	Sterimol/B3: 3.7426
Sterimol/B4: 9.06369	Sterimol/L: 17.0298

Surface and Volume Properties
Accessible surface: 622.242	Positive charged surface: 333.587	Negative charged surface: 274.508	Volume: 343.125
Hydrophobic surface: 601.504	Hydrophilic surface: 20.738

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.