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ACROSORGANICS-ZINC04262427

 MMsINC code: MMs00017511
Type: Neutral
Formula: C14H18O6
SMILES:   O1C2C(OC(OC2)c2ccccc2)C(O)C(O)C1OC
InChI:   InChI=1/C14H18O6/c1-17-14-11(16)10(15)12-9(19-14)7-18-13(20-12)8-5-3-2-4-6-8/h2-6,9-16H,7H2,1H3/t9-,10-,11-,12+,13-,14+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.319 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.292 g/mol  logS: -1.58306  SlogP: 0.2892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0870188  Sterimol/B1: 2.37086  Sterimol/B2: 3.40958  Sterimol/B3: 4.21524
  Sterimol/B4: 5.44063  Sterimol/L: 15.8027 
 
 Surface and Volume Properties
  Accessible surface: 484.025  Positive charged surface: 360.674  Negative charged surface: 123.351  Volume: 253.5
  Hydrophobic surface: 386.99  Hydrophilic surface: 97.035
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.