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MMsINC code: MMs02625417

Type: Neutral
Formula: C₁₉H₂₄N₂

SMILES:

N(Cc1ccccc1)(CCN1CCCC1)c1ccccc1

InChI:

InChI=1/C19H24N2/c1-3-9-18(10-4-1)17-21(19-11-5-2-6-12-19)16-15-20-13-7-8-14-20/h1-6,9-12H,7-8,13-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.4535 kcal/mol

Physical Properties
Molecular Weight: 280.415 g/mol	logS: -3.53046	SlogP: 4.0554	Reactive groups: 0

Topological Properties
Globularity: 0.104246	Sterimol/B1: 2.3734	Sterimol/B2: 3.08373	Sterimol/B3: 4.54715
Sterimol/B4: 9.24611	Sterimol/L: 14.8142

Surface and Volume Properties
Accessible surface: 554.732	Positive charged surface: 373.94	Negative charged surface: 180.792	Volume: 308.625
Hydrophobic surface: 540.109	Hydrophilic surface: 14.623

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02625418
PUBCHEM-ZINC00001534