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ACROSORGANICS-ZINC00388242

 MMsINC code: MMs00006917
Type: Neutral
Formula: C10H12O5
SMILES:   O(C)c1cc(OC)c(OC)cc1C(O)=O
InChI:   InChI=1/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.1367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.201 g/mol  logS: -1.50542  SlogP: 1.4106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0298386  Sterimol/B1: 2.37666  Sterimol/B2: 2.38335  Sterimol/B3: 3.80136
  Sterimol/B4: 6.99949  Sterimol/L: 10.7369 
 
 Surface and Volume Properties
  Accessible surface: 412.417  Positive charged surface: 331.744  Negative charged surface: 80.673  Volume: 191.625
  Hydrophobic surface: 299.978  Hydrophilic surface: 112.439
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules


MMs00006918
ACROSORGANICS-ZINC00388242