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ACROSORGANICS-ZINC00388761

 MMsINC code: MMs00007136
Type: Neutral
Formula: C7H8O2
SMILES:   Oc1cc(ccc1)CO
InChI:   InChI=1/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.0823 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.139 g/mol  logS: -0.79395  SlogP: 1.1509  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0598045  Sterimol/B1: 2.43716  Sterimol/B2: 2.4961  Sterimol/B3: 2.74244
  Sterimol/B4: 5.16419  Sterimol/L: 9.54202 
 
 Surface and Volume Properties
  Accessible surface: 307.552  Positive charged surface: 194.157  Negative charged surface: 113.395  Volume: 124.25
  Hydrophobic surface: 191.478  Hydrophilic surface: 116.074
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.