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ACROSORGANICS-ZINC00157589

 MMsINC code: MMs00005728
Type: Neutral
Formula: C6H14N2
SMILES:   N1CCC(CC1)CN
InChI:   InChI=1/C6H14N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-5,7H2

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Potential Energy
Epot(MMFF94)=0.134828 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 114.192 g/mol  logS: 0.32245  SlogP: -0.0553  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.193432  Sterimol/B1: 2.42532  Sterimol/B2: 2.76097  Sterimol/B3: 3.07296
  Sterimol/B4: 5.14715  Sterimol/L: 9.3987 
 
 Surface and Volume Properties
  Accessible surface: 307.627  Positive charged surface: 275.758  Negative charged surface: 31.869  Volume: 129.375
  Hydrophobic surface: 215.514  Hydrophilic surface: 92.113
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs00005729
ACROSORGANICS-ZINC00157589