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ACROSORGANICS-ZINC01693923

 MMsINC code: MMs00011229
Type: Neutral
Formula: C6H13N
SMILES:   N1CCC(CC1)C
InChI:   InChI=1/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3

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Potential Energy
Epot(MMFF94)=0.172622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 99.177 g/mol  logS: -0.62685  SlogP: 1.0059  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.191265  Sterimol/B1: 2.78796  Sterimol/B2: 2.93007  Sterimol/B3: 3.6234
  Sterimol/B4: 3.62523  Sterimol/L: 8.52531 
 
 Surface and Volume Properties
  Accessible surface: 286.058  Positive charged surface: 245.912  Negative charged surface: 40.1457  Volume: 120.375
  Hydrophobic surface: 233.96  Hydrophilic surface: 52.098
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00011230
ACROSORGANICS-ZINC01693923