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PUBCHEM-ZINC05752270

 MMsINC code: MMs03371514
Type: Neutral
Formula: C10H19N
SMILES:   N1C(C2CC(CC2)C1C)(C)C
InChI:   InChI=1/C10H19N/c1-7-8-4-5-9(6-8)10(2,3)11-7/h7-9,11H,4-6H2,1-3H3/t7-,8+,9-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.1147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.269 g/mol  logS: -1.39476  SlogP: 2.173  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.4307  Sterimol/B1: 2.2747  Sterimol/B2: 2.97024  Sterimol/B3: 3.92104
  Sterimol/B4: 6.30691  Sterimol/L: 9.08004 
 
 Surface and Volume Properties
  Accessible surface: 343.883  Positive charged surface: 259.843  Negative charged surface: 84.0393  Volume: 178.125
  Hydrophobic surface: 276.749  Hydrophilic surface: 67.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03371515
PUBCHEM-ZINC05752270