MMsINC Database Search


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MMsINC code: MMs01751973

Type: Neutral
Formula: C₂₃H₁₈N₂O

SMILES:

O=C(N(C)c1ccccc1)c1cc(nc2c1cccc2)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.848 kcal/mol

Physical Properties
Molecular Weight: 338.41 g/mol	logS: -6.2326	SlogP: 5.1784	Reactive groups: 0

Topological Properties
Globularity: 0.0596235	Sterimol/B1: 2.31981	Sterimol/B2: 4.96372	Sterimol/B3: 5.10808
Sterimol/B4: 8.12185	Sterimol/L: 16.6288

Surface and Volume Properties
Accessible surface: 594.748	Positive charged surface: 322.535	Negative charged surface: 263.687	Volume: 338.375
Hydrophobic surface: 560.511	Hydrophilic surface: 34.237

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.