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APOLLO-ZINC00161694

 MMsINC code: MMs00046346
Type: Ionized
Formula: C11H9O4-
SMILES:   o1cc(c2c1cc(OC)cc2)CC(=O)[O-]
InChI:   InChI=1/C11H10O4/c1-14-8-2-3-9-7(4-11(12)13)6-15-10(9)5-8/h2-3,5-6H,4H2,1H3,(H,12,13)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.8771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.189 g/mol  logS: -3.17191  SlogP: 0.73377  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0429891  Sterimol/B1: 2.96319  Sterimol/B2: 3.43129  Sterimol/B3: 3.95609
  Sterimol/B4: 4.60944  Sterimol/L: 12.587 
 
 Surface and Volume Properties
  Accessible surface: 395.993  Positive charged surface: 219.932  Negative charged surface: 170.941  Volume: 185.875
  Hydrophobic surface: 291.744  Hydrophilic surface: 104.249
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs00046345
APOLLO-ZINC00161694