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NCID-ZINC01587797

 MMsINC code: MMs02243499
Type: Ionized
Formula: C6H10NO4-
SMILES:   O=C([O-])C[NH+](CC(=O)[O-])CC
InChI:   InChI=1/C6H11NO4/c1-2-7(3-5(8)9)4-6(10)11/h2-4H2,1H3,(H,8,9)(H,10,11)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.6965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.149 g/mol  logS: -0.30383  SlogP: -4.609  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.264314  Sterimol/B1: 2.53015  Sterimol/B2: 3.21663  Sterimol/B3: 3.44734
  Sterimol/B4: 5.97558  Sterimol/L: 10.3166 
 
 Surface and Volume Properties
  Accessible surface: 332.007  Positive charged surface: 181.947  Negative charged surface: 150.06  Volume: 145.125
  Hydrophobic surface: 129.163  Hydrophilic surface: 202.844
 
 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:


MMs02243498
NCID-ZINC01587797