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ACROSORGANICS-ZINC02566749

 MMsINC code: MMs00014437
Type: Neutral
Formula: C10H12O5
SMILES:   O(C)c1c(OC)cc(cc1O)C(OC)=O
InChI:   InChI=1/C10H12O5/c1-13-8-5-6(10(12)15-3)4-7(11)9(8)14-2/h4-5,11H,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.201 g/mol  logS: -1.50542  SlogP: 1.196  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0454221  Sterimol/B1: 2.17276  Sterimol/B2: 2.44794  Sterimol/B3: 2.95952
  Sterimol/B4: 7.75873  Sterimol/L: 13.1319 
 
 Surface and Volume Properties
  Accessible surface: 430.23  Positive charged surface: 343.567  Negative charged surface: 86.6628  Volume: 194.625
  Hydrophobic surface: 326.793  Hydrophilic surface: 103.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: no related molecules available.