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ACROSORGANICS-ZINC00404747

 MMsINC code: MMs00007766
Type: Neutral
Formula: C8H10O2
SMILES:   O(CC)c1ccccc1O
InChI:   InChI=1/C8H10O2/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.4383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.166 g/mol  logS: -1.40052  SlogP: 1.7909  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0305804  Sterimol/B1: 2.41621  Sterimol/B2: 2.45129  Sterimol/B3: 4.0735
  Sterimol/B4: 4.24541  Sterimol/L: 11.0946 
 
 Surface and Volume Properties
  Accessible surface: 339.029  Positive charged surface: 222.388  Negative charged surface: 116.641  Volume: 142.75
  Hydrophobic surface: 260.39  Hydrophilic surface: 78.639
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.