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NCID-ZINC04532667

 MMsINC code: MMs02390079
Type: Neutral
Formula: C14H18O5
SMILES:   O1C2C(OC(OC)CC2O)COC1c1ccccc1
InChI:   InChI=1/C14H18O5/c1-16-12-7-10(15)13-11(18-12)8-17-14(19-13)9-5-3-2-4-6-9/h2-6,10-15H,7-8H2,1H3/t10-,11-,12-,13+,14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.2689 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.293 g/mol  logS: -1.98737  SlogP: 1.3184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0544003  Sterimol/B1: 2.53549  Sterimol/B2: 3.14412  Sterimol/B3: 3.77496
  Sterimol/B4: 6.1285  Sterimol/L: 15.9396 
 
 Surface and Volume Properties
  Accessible surface: 499.475  Positive charged surface: 363.091  Negative charged surface: 136.384  Volume: 249.5
  Hydrophobic surface: 428.124  Hydrophilic surface: 71.351
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.