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ACROSORGANICS-ZINC00001554

 MMsINC code: MMs00002621
Type: Neutral
Formula: C7H6O3
SMILES:   Oc1ccccc1C(O)=O
InChI:   InChI=1/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.3003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.122 g/mol  logS: -0.99233  SlogP: 1.0904  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00916921  Sterimol/B1: 2.097  Sterimol/B2: 2.27105  Sterimol/B3: 2.45753
  Sterimol/B4: 5.51574  Sterimol/L: 9.82658 
 
 Surface and Volume Properties
  Accessible surface: 301.616  Positive charged surface: 168.933  Negative charged surface: 132.683  Volume: 124.625
  Hydrophobic surface: 167.689  Hydrophilic surface: 133.927
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00002622
ACROSORGANICS-ZINC00001554