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PUBCHEM-ZINC05138383

 MMsINC code: MMs03210373
Type: Neutral
Formula: C6H14N2O2
SMILES:   O=C(N(O)C)NCCCC
InChI:   InChI=1/C6H14N2O2/c1-3-4-5-7-6(9)8(2)10/h10H,3-5H2,1-2H3,(H,7,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.03358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.19 g/mol  logS: -0.45192  SlogP: 0.8171  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.032636  Sterimol/B1: 2.37586  Sterimol/B2: 2.5128  Sterimol/B3: 3.09438
  Sterimol/B4: 3.79417  Sterimol/L: 13.1861 
 
 Surface and Volume Properties
  Accessible surface: 369.476  Positive charged surface: 291.104  Negative charged surface: 78.3714  Volume: 150.5
  Hydrophobic surface: 245.209  Hydrophilic surface: 124.267
 
 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: no related molecules available.