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PUBCHEM-ZINC05566448

 MMsINC code: MMs03308668
Type: Neutral
Formula: C10H22N6
SMILES:   N(N=NC)CC1CCC(CC1)CNN=NC
InChI:   InChI=1/C10H22N6/c1-11-15-13-7-9-3-5-10(6-4-9)8-14-16-12-2/h9-10H,3-8H2,1-2H3,(H,11,13)(H,12,14)/t9-,10+

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Potential Energy
Epot(MMFF94)=35.5263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.328 g/mol  logS: -0.17254  SlogP: 1.966  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0826164  Sterimol/B1: 2.94697  Sterimol/B2: 3.23891  Sterimol/B3: 3.64091
  Sterimol/B4: 7.12399  Sterimol/L: 15.8767 
 
 Surface and Volume Properties
  Accessible surface: 511.652  Positive charged surface: 412.378  Negative charged surface: 99.2744  Volume: 237.875
  Hydrophobic surface: 443.561  Hydrophilic surface: 68.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: no related molecules available.