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PUBCHEM-ZINC03632636

 MMsINC code: MMs03028229
Type: Neutral
Formula: C4H10N2O2
SMILES:   OCCCNC(=O)N
InChI:   InChI=1/C4H10N2O2/c5-4(8)6-2-1-3-7/h7H,1-3H2,(H3,5,6,8)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-28.3241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.136 g/mol  logS: 0.29045  SlogP: -0.9629  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0408705  Sterimol/B1: 2.11174  Sterimol/B2: 2.37497  Sterimol/B3: 2.37573
  Sterimol/B4: 3.88547  Sterimol/L: 11.506 
 
 Surface and Volume Properties
  Accessible surface: 306.574  Positive charged surface: 237.552  Negative charged surface: 69.022  Volume: 114.375
  Hydrophobic surface: 119.769  Hydrophilic surface: 186.805
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.