MMsINC Database Search


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MMsINC code: MMs00333267

Type: Neutral
Formula: C₂₆H₂₀N₂

SMILES:

n1c2c(n(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)cccc2

InChI:

InChI=1/C26H20N2/c1-4-12-21(13-5-1)26(22-14-6-2-7-15-22,23-16-8-3-9-17-23)28-20-27-24-18-10-11-19-25(24)28/h1-20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=160.419 kcal/mol

Physical Properties
Molecular Weight: 360.46 g/mol	logS: -7.00229	SlogP: 6.188	Reactive groups: 0

Topological Properties
Globularity: 0.582101	Sterimol/B1: 3.08733	Sterimol/B2: 5.74871	Sterimol/B3: 6.0935
Sterimol/B4: 7.25124	Sterimol/L: 14.0415

Surface and Volume Properties
Accessible surface: 586.261	Positive charged surface: 333.568	Negative charged surface: 252.693	Volume: 365.375
Hydrophobic surface: 559.604	Hydrophilic surface: 26.657

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.