MMsINC Database Search


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MMsINC code: MMs00601593

Type: Neutral
Formula: C₂₃H₁₈N₂O

SMILES:

O=C(Nc1c2ncccc2ccc1)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H18N2O/c26-23(25-20-15-7-13-19-14-8-16-24-22(19)20)21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16,21H,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.284 kcal/mol

Physical Properties
Molecular Weight: 338.41 g/mol	logS: -5.64734	SlogP: 5.0054	Reactive groups: 0

Topological Properties
Globularity: 0.105727	Sterimol/B1: 2.46161	Sterimol/B2: 3.29136	Sterimol/B3: 4.7263
Sterimol/B4: 9.43104	Sterimol/L: 15.3981

Surface and Volume Properties
Accessible surface: 600.382	Positive charged surface: 351.771	Negative charged surface: 243.482	Volume: 337.25
Hydrophobic surface: 566.489	Hydrophilic surface: 33.893

Pharmacophoric Properties
Hydrogen bond donors: 1	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.