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PUBCHEM-ZINC06613539

 MMsINC code: MMs03818600
Type: Neutral
Formula: C10H19N3-2
SMILES:   N(C1[N-]CCCC1)C1[N-]CCCC1
InChI:   InChI=1/C10H19N3/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10/h9-10,13H,1-8H2/q-2/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=-11.2252 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.283 g/mol  logS: -0.2099  SlogP: 2.3434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0893485  Sterimol/B1: 2.80453  Sterimol/B2: 3.16969  Sterimol/B3: 3.35132
  Sterimol/B4: 4.8504  Sterimol/L: 12.8623 
 
 Surface and Volume Properties
  Accessible surface: 411.945  Positive charged surface: 309.501  Negative charged surface: 102.444  Volume: 196
  Hydrophobic surface: 368.881  Hydrophilic surface: 43.064
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.