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OAKWOOD-ZINC02525488

 MMsINC code: MMs02544304
Type: Neutral
Formula: C9H12O2
SMILES:   O(C)c1cc(C)c(cc1)CO
InChI:   InChI=1/C9H12O2/c1-7-5-9(11-2)4-3-8(7)6-10/h3-5,10H,6H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.5622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.193 g/mol  logS: -1.6802  SlogP: 1.76232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0323242  Sterimol/B1: 2.38021  Sterimol/B2: 2.38924  Sterimol/B3: 2.51194
  Sterimol/B4: 6.03328  Sterimol/L: 11.0664 
 
 Surface and Volume Properties
  Accessible surface: 356.398  Positive charged surface: 257.208  Negative charged surface: 99.1905  Volume: 158.625
  Hydrophobic surface: 292.682  Hydrophilic surface: 63.716
 
 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.