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ACROSORGANICS-ZINC01693358

 MMsINC code: MMs00011184
Type: Neutral
Formula: C8H10O
SMILES:   O(C)c1ccccc1C
InChI:   InChI=1/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.7294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.167 g/mol  logS: -1.59573  SlogP: 2.00362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.043632  Sterimol/B1: 1.969  Sterimol/B2: 2.38051  Sterimol/B3: 2.51209
  Sterimol/B4: 6.81795  Sterimol/L: 9.51384 
 
 Surface and Volume Properties
  Accessible surface: 316.29  Positive charged surface: 217.436  Negative charged surface: 98.8533  Volume: 135.375
  Hydrophobic surface: 312.709  Hydrophilic surface: 3.581
 
 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.