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ENAMINE-ZINC00967395

 MMsINC code: MMs01236921
Type: Neutral
Formula: C4H10N2O
SMILES:   O=C(NN)C(C)C
InChI:   InChI=1/C4H10N2O/c1-3(2)4(7)6-5/h3H,5H2,1-2H3,(H,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.9857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 102.137 g/mol  logS: -0.25993  SlogP: -0.3677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127243  Sterimol/B1: 2.48947  Sterimol/B2: 2.93718  Sterimol/B3: 2.94238
  Sterimol/B4: 4.45665  Sterimol/L: 9.31325 
 
 Surface and Volume Properties
  Accessible surface: 282.22  Positive charged surface: 196.678  Negative charged surface: 85.5425  Volume: 107
  Hydrophobic surface: 117.355  Hydrophilic surface: 164.865
 
 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.