MMsINC Database Search


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MMsINC code: MMs03457211

Type: Neutral
Formula: C₁₄H₂₄N+

SMILES:

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

InChI:

InChI=1/C14H24N/c1-14(2,3)13(15(4,5)6)12-10-8-7-9-11-12/h7-11,13H,1-6H3/q+1/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=278.443 kcal/mol

Physical Properties
Molecular Weight: 206.353 g/mol	logS: -2.05847	SlogP: 3.5755	Reactive groups: 0

Topological Properties
Globularity: 0.336255	Sterimol/B1: 2.2724	Sterimol/B2: 3.41288	Sterimol/B3: 3.95097
Sterimol/B4: 7.28405	Sterimol/L: 10.8502

Surface and Volume Properties
Accessible surface: 408.964	Positive charged surface: 306.942	Negative charged surface: 102.022	Volume: 231.75
Hydrophobic surface: 324.117	Hydrophilic surface: 84.847

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