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ACROSORGANICS-ZINC03874989

 MMsINC code: MMs00016227
Type: Neutral
Formula: C10H26N6O2
SMILES:   ON(N(CCCCNCCCN)CCCN)N=O
InChI:   InChI=1/C10H26N6O2/c11-5-3-8-13-7-1-2-9-15(10-4-6-12)16(18)14-17/h13,18H,1-12H2

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Potential Energy
Epot(MMFF94)=8.46855 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.358 g/mol  logS: 0.46911  SlogP: -0.3566  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0304716  Sterimol/B1: 2.42902  Sterimol/B2: 2.86158  Sterimol/B3: 3.93676
  Sterimol/B4: 5.0602  Sterimol/L: 20.232 
 
 Surface and Volume Properties
  Accessible surface: 565.525  Positive charged surface: 439.943  Negative charged surface: 125.583  Volume: 270.5
  Hydrophobic surface: 372.15  Hydrophilic surface: 193.375
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  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


MMs00016228
ACROSORGANICS-ZINC03874989