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NCID-ZINC05063162

 MMsINC code: MMs02434920
Type: Ionized
Formula: C10H11O5-
SMILES:   O(C)C1C(=CC=CC1OC(=O)C)C(=O)[O-]
InChI:   InChI=1/C10H12O5/c1-6(11)15-8-5-3-4-7(10(12)13)9(8)14-2/h3-5,8-9H,1-2H3,(H,12,13)/p-1/t8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=18.8407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.193 g/mol  logS: -1.57507  SlogP: -0.8208  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.241451  Sterimol/B1: 3.09539  Sterimol/B2: 3.46159  Sterimol/B3: 4.38075
  Sterimol/B4: 5.47207  Sterimol/L: 11.2938 
 
 Surface and Volume Properties
  Accessible surface: 409.533  Positive charged surface: 241.611  Negative charged surface: 167.922  Volume: 191.875
  Hydrophobic surface: 273.008  Hydrophilic surface: 136.525
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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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Parent related molecule:


MMs02434919
NCID-ZINC05063162