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CHEMDIV-ZINC03120961

 MMsINC code: MMs00909929
Type: Neutral
Formula: C14H32N2O2
SMILES:   O(CCNC(C)(C)C)CCOCCNC(C)(C)C
InChI:   InChI=1/C14H32N2O2/c1-13(2,3)15-7-9-17-11-12-18-10-8-16-14(4,5)6/h15-16H,7-12H2,1-6H3

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Potential Energy
Epot(MMFF94)=59.1082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.422 g/mol  logS: -1.37296  SlogP: 1.7958  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.095899  Sterimol/B1: 2.36535  Sterimol/B2: 3.53024  Sterimol/B3: 4.35244
  Sterimol/B4: 7.1722  Sterimol/L: 15.8441 
 
 Surface and Volume Properties
  Accessible surface: 605.014  Positive charged surface: 487.218  Negative charged surface: 117.795  Volume: 300.5
  Hydrophobic surface: 468.113  Hydrophilic surface: 136.901
 
 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


MMs00909930
CHEMDIV-ZINC03120961