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ACROSORGANICS-ZINC00156386

 MMsINC code: MMs00005405
Type: Neutral
Formula: C9H10O5
SMILES:   O(C)c1cc(cc(OC)c1O)C(O)=O
InChI:   InChI=1/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.1478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.174 g/mol  logS: -1.09309  SlogP: 1.1076  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0256728  Sterimol/B1: 2.35929  Sterimol/B2: 2.39613  Sterimol/B3: 4.222
  Sterimol/B4: 5.98824  Sterimol/L: 11.8314 
 
 Surface and Volume Properties
  Accessible surface: 392.751  Positive charged surface: 291.451  Negative charged surface: 101.3  Volume: 174.25
  Hydrophobic surface: 232.981  Hydrophilic surface: 159.77
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00005406
ACROSORGANICS-ZINC00156386