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MMsINC code: MMs00725222

Type: Neutral
Formula: C₂₅H₂₀N₂O

SMILES:

O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccccc1-c1ccccc1

InChI:

InChI=1/C25H20N2O/c28-25(24-14-8-7-13-23(24)19-9-3-1-4-10-19)27-22-17-15-21(16-18-22)26-20-11-5-2-6-12-20/h1-18,26H,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.867 kcal/mol

Physical Properties
Molecular Weight: 364.448 g/mol	logS: -7.40157	SlogP: 6.3495	Reactive groups: 0

Topological Properties
Globularity: 0.0298994	Sterimol/B1: 2.56347	Sterimol/B2: 3.26046	Sterimol/B3: 3.39303
Sterimol/B4: 9.58621	Sterimol/L: 18.1336

Surface and Volume Properties
Accessible surface: 654.898	Positive charged surface: 370.276	Negative charged surface: 281.741	Volume: 366.625
Hydrophobic surface: 619.567	Hydrophilic surface: 35.331

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.