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MMsINC code: MMs03022118

Type: Neutral
Formula: C₁₉H₂₄N₂

SMILES:

N1(CCN(CC1)C)C(Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C19H24N2/c1-20-12-14-21(15-13-20)19(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.359 kcal/mol

Physical Properties
Molecular Weight: 280.415 g/mol	logS: -3.13243	SlogP: 3.31327	Reactive groups: 0

Topological Properties
Globularity: 0.220886	Sterimol/B1: 1.969	Sterimol/B2: 3.7688	Sterimol/B3: 3.92919
Sterimol/B4: 9.07596	Sterimol/L: 13.9623

Surface and Volume Properties
Accessible surface: 534.823	Positive charged surface: 377.919	Negative charged surface: 156.904	Volume: 305.25
Hydrophobic surface: 531.767	Hydrophilic surface: 3.0559999999999

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03022119
PUBCHEM-ZINC03612618