MMsINC Database Search


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MMsINC code: MMs00755897

Type: Neutral
Formula: C₂₅H₂₂N₂

SMILES:

Nc1ccc(cc1)C(c1ccc(N)cc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C25H22N2/c26-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)22-13-17-24(27)18-14-22/h1-18H,26-27H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=183.389 kcal/mol

Physical Properties
Molecular Weight: 350.465 g/mol	logS: -6.22794	SlogP: 5.2337	Reactive groups: 0

Topological Properties
Globularity: 0.646871	Sterimol/B1: 2.60523	Sterimol/B2: 3.12475	Sterimol/B3: 8.11696
Sterimol/B4: 9.32685	Sterimol/L: 13.3704

Surface and Volume Properties
Accessible surface: 599.701	Positive charged surface: 371.315	Negative charged surface: 228.385	Volume: 359.125
Hydrophobic surface: 474.883	Hydrophilic surface: 124.818

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	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.