MMsINC Database Search


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MMsINC code: MMs02746426

Type: Neutral
Formula: C₂₂H₁₈N₂

SMILES:

n1n(c(C)c(c1-c1ccccc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C22H18N2/c1-17-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)23-24(17)20-15-9-4-10-16-20/h2-16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.047 kcal/mol

Physical Properties
Molecular Weight: 310.4 g/mol	logS: -6.67374	SlogP: 5.51472	Reactive groups: 0

Topological Properties
Globularity: 0.0726236	Sterimol/B1: 3.26455	Sterimol/B2: 3.42009	Sterimol/B3: 3.46015
Sterimol/B4: 8.5166	Sterimol/L: 14.7466

Surface and Volume Properties
Accessible surface: 570.539	Positive charged surface: 312.785	Negative charged surface: 257.754	Volume: 323.25
Hydrophobic surface: 550.367	Hydrophilic surface: 20.172

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: 1

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Ions/Tautomers related molecules: no related molecules available.