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PUBCHEM-ZINC06854834

 MMsINC code: MMs03874503
Type: Ionized
Formula: C6H10NO4-
SMILES:   O=C([O-])C(CCC[NH3+])C(=O)[O-]
InChI:   InChI=1/C6H11NO4/c7-3-1-2-4(5(8)9)6(10)11/h4H,1-3,7H2,(H,8,9)(H,10,11)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-44.3842 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.149 g/mol  logS: 0.06989  SlogP: -3.8755  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182623  Sterimol/B1: 2.48555  Sterimol/B2: 2.55631  Sterimol/B3: 4.02441
  Sterimol/B4: 5.23167  Sterimol/L: 10.0125 
 
 Surface and Volume Properties
  Accessible surface: 323.231  Positive charged surface: 192.085  Negative charged surface: 131.146  Volume: 139.125
  Hydrophobic surface: 119.056  Hydrophilic surface: 204.175
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  Basic groups: 1
  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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Parent related molecule:


MMs03874502
PUBCHEM-ZINC06854834