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ACROSORGANICS-ZINC04682869

 MMsINC code: MMs00018466
Type: Neutral
Formula: C2H8N2O
SMILES:   OCCNN
InChI:   InChI=1/C2H8N2O/c3-4-1-2-5/h4-5H,1-3H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.6785 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 76.099 g/mol  logS: 0.94071  SlogP: -1.558  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11788  Sterimol/B1: 2.43844  Sterimol/B2: 2.56166  Sterimol/B3: 2.85034
  Sterimol/B4: 3.38818  Sterimol/L: 8.27594 
 
 Surface and Volume Properties
  Accessible surface: 245.225  Positive charged surface: 203.431  Negative charged surface: 41.7942  Volume: 79.25
  Hydrophobic surface: 96.6558  Hydrophilic surface: 148.5692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.