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PUBCHEM-ZINC05822002

 MMsINC code: MMs03401038
Type: Neutral
Formula: C11H25N
SMILES:   NCCCCCC(CCCC)C
InChI:   InChI=1/C11H25N/c1-3-4-8-11(2)9-6-5-7-10-12/h11H,3-10,12H2,1-2H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=5.54035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.328 g/mol  logS: -3.93264  SlogP: 3.3318  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0375475  Sterimol/B1: 2.57303  Sterimol/B2: 3.17432  Sterimol/B3: 3.45165
  Sterimol/B4: 3.68278  Sterimol/L: 16.945 
 
 Surface and Volume Properties
  Accessible surface: 460.575  Positive charged surface: 380.361  Negative charged surface: 80.2132  Volume: 215.625
  Hydrophobic surface: 352.269  Hydrophilic surface: 108.306
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03401039
PUBCHEM-ZINC05822002