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ENAMINE-ZINC03346467

 MMsINC code: MMs01386645
Type: Neutral
Formula: C4H10N2O
SMILES:   O=C(NC)CNC
InChI:   InChI=1/C4H10N2O/c1-5-3-4(7)6-2/h5H,3H2,1-2H3,(H,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.6869 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 102.137 g/mol  logS: 0.46995  SlogP: -1.0482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0495947  Sterimol/B1: 2.39511  Sterimol/B2: 2.54826  Sterimol/B3: 2.77959
  Sterimol/B4: 3.17383  Sterimol/L: 10.6709 
 
 Surface and Volume Properties
  Accessible surface: 295.951  Positive charged surface: 263.811  Negative charged surface: 32.1403  Volume: 110
  Hydrophobic surface: 212.852  Hydrophilic surface: 83.099
 
 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.