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ALFAAESAR-ZINC01718566

 MMsINC code: MMs00022068
Type: Neutral
Formula: C7H6O2
SMILES:   O(C=O)c1ccccc1
InChI:   InChI=1/C7H6O2/c8-6-9-7-4-2-1-3-5-7/h1-6H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.9953 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.123 g/mol  logS: -1.62732  SlogP: 1.2218  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000407153  Sterimol/B1: 2.097  Sterimol/B2: 2.15882  Sterimol/B3: 3.42357
  Sterimol/B4: 4.41382  Sterimol/L: 10.2341 
 
 Surface and Volume Properties
  Accessible surface: 290.6  Positive charged surface: 148.037  Negative charged surface: 142.562  Volume: 117.5
  Hydrophobic surface: 204.322  Hydrophilic surface: 86.278
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.