MMsINC Database Search


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MMsINC code: MMs02323201

Type: Neutral
Formula: C₁₄H₂₄N+

SMILES:

[N+](Cc1c(cc(cc1C)C)C)(CC)(C)C

InChI:

InChI=1/C14H24N/c1-7-15(5,6)10-14-12(3)8-11(2)9-13(14)4/h8-9H,7,10H2,1-6H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.011 kcal/mol

Physical Properties
Molecular Weight: 206.353 g/mol	logS: -2.87492	SlogP: 3.47456	Reactive groups: 0

Topological Properties
Globularity: 0.131202	Sterimol/B1: 2.53894	Sterimol/B2: 4.0126	Sterimol/B3: 4.66067
Sterimol/B4: 4.80014	Sterimol/L: 13.3958

Surface and Volume Properties
Accessible surface: 435.221	Positive charged surface: 318.022	Negative charged surface: 117.199	Volume: 240.75
Hydrophobic surface: 378.489	Hydrophilic surface: 56.732

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.