MMsINC Database Search


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MMsINC code: MMs03113535

Type: Neutral
Formula: C₁₅H₃₂N+

SMILES:

[N+]1(C)(C)C(CCCC1CC(C)C)CC(C)C

InChI:

InChI=1/C15H32N/c1-12(2)10-14-8-7-9-15(11-13(3)4)16(14,5)6/h12-15H,7-11H2,1-6H3/q+1/t14-,15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.945 kcal/mol

Physical Properties
Molecular Weight: 226.428 g/mol	logS: -3.23104	SlogP: 4.0761	Reactive groups: 0

Topological Properties
Globularity: 0.261292	Sterimol/B1: 3.5834	Sterimol/B2: 3.73859	Sterimol/B3: 4.44969
Sterimol/B4: 5.46955	Sterimol/L: 12.6827

Surface and Volume Properties
Accessible surface: 465.223	Positive charged surface: 365.207	Negative charged surface: 100.016	Volume: 270.75
Hydrophobic surface: 361.634	Hydrophilic surface: 103.589

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

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.