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PUBCHEM-ZINC06403332

 MMsINC code: MMs03707946
Type: Neutral
Formula: C8H14N2O4-2
SMILES:   O(C(=O)C([NH-])C([NH-])C(OCC)=O)CC
InChI:   InChI=1/C8H14N2O4/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3/q-2/t5-,6+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.359 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.21 g/mol  logS: -0.4928  SlogP: -0.5844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0369239  Sterimol/B1: 2.86835  Sterimol/B2: 3.05236  Sterimol/B3: 3.19901
  Sterimol/B4: 4.27424  Sterimol/L: 15.0826 
 
 Surface and Volume Properties
  Accessible surface: 427.434  Positive charged surface: 285.159  Negative charged surface: 142.274  Volume: 193
  Hydrophobic surface: 238.111  Hydrophilic surface: 189.323
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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.