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PUBCHEM-ZINC05351902

 MMsINC code: MMs03245771
Type: Neutral
Formula: C11H25N
SMILES:   N(CC(CC(C)(C)C)(C)C)(C)C
InChI:   InChI=1/C11H25N/c1-10(2,3)8-11(4,5)9-12(6)7/h8-9H2,1-7H3

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Potential Energy
Epot(MMFF94)=172.76 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.328 g/mol  logS: -2.48183  SlogP: 3.0104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175277  Sterimol/B1: 2.29315  Sterimol/B2: 2.7433  Sterimol/B3: 3.88966
  Sterimol/B4: 5.1535  Sterimol/L: 11.8211 
 
 Surface and Volume Properties
  Accessible surface: 394.157  Positive charged surface: 319.975  Negative charged surface: 74.1825  Volume: 209.5
  Hydrophobic surface: 323.5  Hydrophilic surface: 70.657
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03245772
PUBCHEM-ZINC05351902