MMsINC Database Search


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MMsINC code: MMs03238561

Type: Neutral
Formula: C₁₄H₂₃N

SMILES:

Nc1c(cccc1C(CC)C)C(CC)C

InChI:

InChI=1/C14H23N/c1-5-10(3)12-8-7-9-13(14(12)15)11(4)6-2/h7-11H,5-6,15H2,1-4H3/t10-,11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.3347 kcal/mol

Physical Properties
Molecular Weight: 205.345 g/mol	logS: -4.51802	SlogP: 4.2958	Reactive groups: 0

Topological Properties
Globularity: 0.116686	Sterimol/B1: 2.94565	Sterimol/B2: 3.09519	Sterimol/B3: 4.64695
Sterimol/B4: 5.6804	Sterimol/L: 13.703

Surface and Volume Properties
Accessible surface: 456.292	Positive charged surface: 319.701	Negative charged surface: 136.59	Volume: 240.5
Hydrophobic surface: 335.862	Hydrophilic surface: 120.43

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