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PUBCHEM-ZINC03639222

 MMsINC code: MMs03030748
Type: Neutral
Formula: C14H30N2O
SMILES:   O=C(NCCN(CC)CC)C(CCC)CCC
InChI:   InChI=1/C14H30N2O/c1-5-9-13(10-6-2)14(17)15-11-12-16(7-3)8-4/h13H,5-12H2,1-4H3,(H,15,17)

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Potential Energy
Epot(MMFF94)=30.2295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.407 g/mol  logS: -2.7872  SlogP: 2.6608  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0649415  Sterimol/B1: 2.60302  Sterimol/B2: 3.23245  Sterimol/B3: 3.67371
  Sterimol/B4: 6.78153  Sterimol/L: 15.8926 
 
 Surface and Volume Properties
  Accessible surface: 556.785  Positive charged surface: 425.902  Negative charged surface: 130.883  Volume: 280.5
  Hydrophobic surface: 428.648  Hydrophilic surface: 128.137
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs03030749
PUBCHEM-ZINC03639222