MMsINC Database Search


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MMsINC code: MMs00024778

Type: Neutral
Formula: C₂₅H₂₁N

SMILES:

Nc1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C25H21N/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H,26H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=175.46 kcal/mol

Physical Properties
Molecular Weight: 335.45 g/mol	logS: -6.50706	SlogP: 5.6515	Reactive groups: 0

Topological Properties
Globularity: 0.703277	Sterimol/B1: 2.394	Sterimol/B2: 3.21551	Sterimol/B3: 8.31763
Sterimol/B4: 9.30625	Sterimol/L: 12.3112

Surface and Volume Properties
Accessible surface: 578.678	Positive charged surface: 344.67	Negative charged surface: 234.009	Volume: 348.5
Hydrophobic surface: 516.666	Hydrophilic surface: 62.012

Pharmacophoric Properties
Hydrogen bond donors: 1	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.