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ACROSORGANICS-ZINC00388613

 MMsINC code: MMs00007086
Type: Neutral
Formula: C8H10O2
SMILES:   Oc1ccc(O)c(C)c1C
InChI:   InChI=1/C8H10O2/c1-5-6(2)8(10)4-3-7(5)9/h3-4,9-10H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.9225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.166 g/mol  logS: -0.98192  SlogP: 1.71464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0635685  Sterimol/B1: 2.2379  Sterimol/B2: 2.24376  Sterimol/B3: 2.49202
  Sterimol/B4: 6.12947  Sterimol/L: 9.02462 
 
 Surface and Volume Properties
  Accessible surface: 316.924  Positive charged surface: 202.43  Negative charged surface: 114.494  Volume: 139.625
  Hydrophobic surface: 229.824  Hydrophilic surface: 87.1
 
 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.