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PUBCHEM-ZINC05996354

 MMsINC code: MMs03480339
Type: Neutral
Formula: C5H12N2O2
SMILES:   O(C(=O)NCCNC)C
InChI:   InChI=1/C5H12N2O2/c1-6-3-4-7-5(8)9-2/h6H,3-4H2,1-2H3,(H,7,8)

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Potential Energy
Epot(MMFF94)=-4.6985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 132.163 g/mol  logS: 0.39313  SlogP: -0.4382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0328147  Sterimol/B1: 2.50142  Sterimol/B2: 2.50325  Sterimol/B3: 2.51775
  Sterimol/B4: 3.16715  Sterimol/L: 13.0487 
 
 Surface and Volume Properties
  Accessible surface: 346.936  Positive charged surface: 305.028  Negative charged surface: 41.9077  Volume: 135.25
  Hydrophobic surface: 251.432  Hydrophilic surface: 95.504
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03480340
PUBCHEM-ZINC05996354