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PUBCHEM-ZINC03206939

 MMsINC code: MMs03007789
Type: Neutral
Formula: C11H21N
SMILES:   NC(C)C12CC(CCC1)CCC2
InChI:   InChI=1/C11H21N/c1-9(12)11-6-2-4-10(8-11)5-3-7-11/h9-10H,2-8,12H2,1H3/t9-,10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=46.076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.296 g/mol  logS: -2.91365  SlogP: 2.6941  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.377495  Sterimol/B1: 3.10889  Sterimol/B2: 3.53945  Sterimol/B3: 4.19182
  Sterimol/B4: 4.54584  Sterimol/L: 10.1614 
 
 Surface and Volume Properties
  Accessible surface: 356.413  Positive charged surface: 284.389  Negative charged surface: 72.0239  Volume: 191.125
  Hydrophobic surface: 291.99  Hydrophilic surface: 64.423
 
 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


MMs03007790
PUBCHEM-ZINC03206939