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SIAL-ZINC04761890

 MMsINC code: MMs03924813
Type: Neutral
Formula: C4H10N2O2
SMILES:   OC(C(N)C(=O)N)C
InChI:   InChI=1/C4H10N2O2/c1-2(7)3(5)4(6)8/h2-3,7H,5H2,1H3,(H2,6,8)/t2-,3-/m0/s1

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Potential Energy
Epot(MMFF94)=31.777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.136 g/mol  logS: 0.31487  SlogP: -1.8202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173101  Sterimol/B1: 2.77864  Sterimol/B2: 3.07502  Sterimol/B3: 3.3933
  Sterimol/B4: 4.29201  Sterimol/L: 8.86912 
 
 Surface and Volume Properties
  Accessible surface: 286.59  Positive charged surface: 201.53  Negative charged surface: 85.0601  Volume: 113.25
  Hydrophobic surface: 77.5731  Hydrophilic surface: 209.0169
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.