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PUBCHEM-ZINC02048367

 MMsINC code: MMs02865759
Type: Neutral
Formula: C10H20N2O2
SMILES:   OCC(NC(=O)C1CCNCC1)CC
InChI:   InChI=1/C10H20N2O2/c1-2-9(7-13)12-10(14)8-3-5-11-6-4-8/h8-9,11,13H,2-7H2,1H3,(H,12,14)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=18.7329 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -0.16535  SlogP: -0.1269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0838826  Sterimol/B1: 2.22262  Sterimol/B2: 2.68877  Sterimol/B3: 3.25746
  Sterimol/B4: 6.25373  Sterimol/L: 11.7858 
 
 Surface and Volume Properties
  Accessible surface: 424.572  Positive charged surface: 357.315  Negative charged surface: 67.2568  Volume: 208.25
  Hydrophobic surface: 309.74  Hydrophilic surface: 114.832
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02865760
PUBCHEM-ZINC02048367