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ACROSORGANICS-ZINC00106688

 MMsINC code: MMs00004015
Type: Neutral
Formula: C11H14O4
SMILES:   O(C)c1cc(ccc1OC)CCC(O)=O
InChI:   InChI=1/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.0343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.229 g/mol  logS: -1.39843  SlogP: 1.72097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.06093  Sterimol/B1: 2.41631  Sterimol/B2: 2.6511  Sterimol/B3: 3.2626
  Sterimol/B4: 7.15805  Sterimol/L: 14.1253 
 
 Surface and Volume Properties
  Accessible surface: 439.875  Positive charged surface: 323.833  Negative charged surface: 116.042  Volume: 202.625
  Hydrophobic surface: 322.529  Hydrophilic surface: 117.346
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs00004016
ACROSORGANICS-ZINC00106688