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APOLLO-ZINC04271837

 MMsINC code: MMs00057259
Type: Neutral
Formula: C9H10O3
SMILES:   O1CCOc2c1cc(cc2)CO
InChI:   InChI=1/C9H10O3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5,10H,3-4,6H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.176 g/mol  logS: -1.4055  SlogP: 1.2165  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0496259  Sterimol/B1: 2.82104  Sterimol/B2: 2.87733  Sterimol/B3: 2.92666
  Sterimol/B4: 4.80377  Sterimol/L: 11.5991 
 
 Surface and Volume Properties
  Accessible surface: 351.407  Positive charged surface: 258.173  Negative charged surface: 93.2341  Volume: 157.5
  Hydrophobic surface: 267.322  Hydrophilic surface: 84.085
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.