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ACROSORGANICS-ZINC01587630

 MMsINC code: MMs00009613
Type: Neutral
Formula: C6H16N2
SMILES:   N(C(C)C)CCCN
InChI:   InChI=1/C6H16N2/c1-6(2)8-5-3-4-7/h6,8H,3-5,7H2,1-2H3

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Potential Energy
Epot(MMFF94)=-5.75708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 116.208 g/mol  logS: 0.09497  SlogP: 0.3332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0711525  Sterimol/B1: 2.43038  Sterimol/B2: 2.76879  Sterimol/B3: 3.01712
  Sterimol/B4: 4.61955  Sterimol/L: 11.7546 
 
 Surface and Volume Properties
  Accessible surface: 348.641  Positive charged surface: 283.933  Negative charged surface: 64.7076  Volume: 142.5
  Hydrophobic surface: 223.335  Hydrophilic surface: 125.306
 
 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


MMs00009614
ACROSORGANICS-ZINC01587630