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ACROSORGANICS-ZINC00389532

 MMsINC code: MMs00007156
Type: Neutral
Formula: C10H10O2
SMILES:   O1c2cc(ccc2OC1)\C=C\C
InChI:   InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.2327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.188 g/mol  logS: -2.76707  SlogP: 2.4484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0175979  Sterimol/B1: 2.38467  Sterimol/B2: 2.64087  Sterimol/B3: 3.42965
  Sterimol/B4: 4.37609  Sterimol/L: 12.924 
 
 Surface and Volume Properties
  Accessible surface: 366.47  Positive charged surface: 231.073  Negative charged surface: 135.397  Volume: 163.25
  Hydrophobic surface: 296.138  Hydrophilic surface: 70.332
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00007157
ACROSORGANICS-ZINC00389532