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PUBCHEM-ZINC06594964

 MMsINC code: MMs03813302
Type: Ionized
Formula: C6H10NO4-
SMILES:   O(CC)C(=O)NC(C(=O)[O-])C
InChI:   InChI=1/C6H11NO4/c1-3-11-6(10)7-4(2)5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)/p-1/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=0.395122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.149 g/mol  logS: -0.75064  SlogP: -1.1291  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0655204  Sterimol/B1: 2.82803  Sterimol/B2: 3.17068  Sterimol/B3: 3.70513
  Sterimol/B4: 3.82942  Sterimol/L: 12.3526 
 
 Surface and Volume Properties
  Accessible surface: 359.088  Positive charged surface: 220.902  Negative charged surface: 138.186  Volume: 145.125
  Hydrophobic surface: 175.531  Hydrophilic surface: 183.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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:


MMs03813301
PUBCHEM-ZINC06594964