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ACROSORGANICS-ZINC00391982

 MMsINC code: MMs00007372
Type: Neutral
Formula: C9H12O3
SMILES:   O(C)c1cc(OC)ccc1OC
InChI:   InChI=1/C9H12O3/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6H,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.2482 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.192 g/mol  logS: -1.53602  SlogP: 1.7124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0358649  Sterimol/B1: 2.3757  Sterimol/B2: 2.37612  Sterimol/B3: 3.66697
  Sterimol/B4: 5.86068  Sterimol/L: 11.6335 
 
 Surface and Volume Properties
  Accessible surface: 376.375  Positive charged surface: 309.202  Negative charged surface: 67.1728  Volume: 168.5
  Hydrophobic surface: 347.668  Hydrophilic surface: 28.707
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.