MMsINC Database Search


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MMsINC code: MMs00711776

Type: Neutral
Formula: C₂₀H₂₆N₂

SMILES:

N(CC(c1ccccc1)c1ccccc1)C1CCN(CC1)C

InChI:

InChI=1/C20H26N2/c1-22-14-12-19(13-15-22)21-16-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19-21H,12-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.1366 kcal/mol

Physical Properties
Molecular Weight: 294.442 g/mol	logS: -3.27958	SlogP: 3.5023	Reactive groups: 0

Topological Properties
Globularity: 0.111948	Sterimol/B1: 3.8992	Sterimol/B2: 4.0367	Sterimol/B3: 4.46475
Sterimol/B4: 6.883	Sterimol/L: 15.3264

Surface and Volume Properties
Accessible surface: 583.138	Positive charged surface: 421.404	Negative charged surface: 161.734	Volume: 326.75
Hydrophobic surface: 570.824	Hydrophilic surface: 12.314

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00711777
CHEMBRIDGE-ZINC02498478