MMsINC Database Search


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MMsINC code: MMs03242585

Type: Neutral
Formula: C₁₉H₂₇N₂+

SMILES:

[N+](CCN(Cc1ccccc1)c1ccccc1)(CC)(C)C

InChI:

InChI=1/C19H27N2/c1-4-21(2,3)16-15-20(19-13-9-6-10-14-19)17-18-11-7-5-8-12-18/h5-14H,4,15-17H2,1-3H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.79 kcal/mol

Physical Properties
Molecular Weight: 283.439 g/mol	logS: -3.17491	SlogP: 4.0559	Reactive groups: 0

Topological Properties
Globularity: 0.100999	Sterimol/B1: 3.35712	Sterimol/B2: 3.60818	Sterimol/B3: 5.44908
Sterimol/B4: 6.96442	Sterimol/L: 14.8585

Surface and Volume Properties
Accessible surface: 547.911	Positive charged surface: 370.923	Negative charged surface: 176.988	Volume: 316.75
Hydrophobic surface: 478.08	Hydrophilic surface: 69.831

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
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: no related molecules available.