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ACROSORGANICS-ZINC00394334

 MMsINC code: MMs00007400
Type: Neutral
Formula: C10H12O5
SMILES:   O(C)c1cc(cc(OC)c1O)C(OC)=O
InChI:   InChI=1/C10H12O5/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5,11H,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.6157 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: 0.030623  Sterimol/B1: 2.28646  Sterimol/B2: 2.37516  Sterimol/B3: 2.49669
  Sterimol/B4: 8.19445  Sterimol/L: 12.26 
 
 Surface and Volume Properties
  Accessible surface: 430.704  Positive charged surface: 347.093  Negative charged surface: 83.6113  Volume: 193.625
  Hydrophobic surface: 325.662  Hydrophilic surface: 105.042
 
 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.