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PUBCHEM-ZINC05962921

 MMsINC code: MMs03463216
Type: Ionized
Formula: C10H24N2+2
SMILES:   [NH2+](C(C)C)C\C=C\C[NH2+]C(C)C
InChI:   InChI=1/C10H22N2/c1-9(2)11-7-5-6-8-12-10(3)4/h5-6,9-12H,7-8H2,1-4H3/p+2/b6-5+

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Potential Energy
Epot(MMFF94)=7.70839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.316 g/mol  logS: -0.8903  SlogP: -0.5138  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0425448  Sterimol/B1: 2.66183  Sterimol/B2: 2.67719  Sterimol/B3: 3.22964
  Sterimol/B4: 4.63985  Sterimol/L: 15.1071 
 
 Surface and Volume Properties
  Accessible surface: 466.595  Positive charged surface: 371.538  Negative charged surface: 95.0567  Volume: 217.625
  Hydrophobic surface: 313.844  Hydrophilic surface: 152.751
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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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Parent related molecule:


MMs03463215
PUBCHEM-ZINC05962921