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ASINEX-ZINC02490415

 MMsINC code: MMs00273209
Type: Neutral
Formula: C12H14O4
SMILES:   O1CCOC1c1ccc(cc1)C1OCCO1
InChI:   InChI=1/C12H14O4/c1-2-10(12-15-7-8-16-12)4-3-9(1)11-13-5-6-14-11/h1-4,11-12H,5-8H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.0206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.24 g/mol  logS: -1.9617  SlogP: 1.9684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0336179  Sterimol/B1: 2.42006  Sterimol/B2: 2.81428  Sterimol/B3: 3.06708
  Sterimol/B4: 4.81552  Sterimol/L: 13.8749 
 
 Surface and Volume Properties
  Accessible surface: 438.813  Positive charged surface: 335.519  Negative charged surface: 103.294  Volume: 210.375
  Hydrophobic surface: 398.349  Hydrophilic surface: 40.464
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.