MMsINC Database Search


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MMsINC code: MMs00011476

Type: Neutral
Formula: C₁₅H₁₈N+

SMILES:

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

InChI:

InChI=1/C15H18N/c1-16(2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9382 kcal/mol

Physical Properties
Molecular Weight: 212.316 g/mol	logS: -2.94981	SlogP: 3.7201	Reactive groups: 0

Topological Properties
Globularity: 0.148773	Sterimol/B1: 2.44965	Sterimol/B2: 2.46043	Sterimol/B3: 4.79478
Sterimol/B4: 5.18396	Sterimol/L: 14.1059

Surface and Volume Properties
Accessible surface: 433.578	Positive charged surface: 282.009	Negative charged surface: 151.569	Volume: 235
Hydrophobic surface: 401.114	Hydrophilic surface: 32.464

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.