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MMsINC code: MMs03336677

Type: Neutral
Formula: C₁₅H₂₇N

SMILES:

N(CCCC12CC3CC(C1)CC(C2)C3)CC

InChI:

InChI=1/C15H27N/c1-2-16-5-3-4-15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14,16H,2-11H2,1H3/t12-,13+,14-,15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.7014 kcal/mol

Physical Properties
Molecular Weight: 221.388 g/mol	logS: -5.05975	SlogP: 3.5925	Reactive groups: 0

Topological Properties
Globularity: 0.105031	Sterimol/B1: 3.30365	Sterimol/B2: 3.61306	Sterimol/B3: 3.7794
Sterimol/B4: 4.58601	Sterimol/L: 14.8464

Surface and Volume Properties
Accessible surface: 471.92	Positive charged surface: 397.221	Negative charged surface: 74.699	Volume: 252.375
Hydrophobic surface: 429.536	Hydrophilic surface: 42.384

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

MMs03336678
PUBCHEM-ZINC05650421