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NANOSIN-ZINC01506893

 MMsINC code: MMs02195255
Type: Neutral
Formula: C11H14O6
SMILES:   O(C)c1c(OC)cc(OCC(O)=O)cc1OC
InChI:   InChI=1/C11H14O6/c1-14-8-4-7(17-6-10(12)13)5-9(15-2)11(8)16-3/h4-5H,6H2,1-3H3,(H,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.9626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.227 g/mol  logS: -1.58224  SlogP: 1.1758  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0412613  Sterimol/B1: 2.02214  Sterimol/B2: 2.4212  Sterimol/B3: 2.98245
  Sterimol/B4: 9.12094  Sterimol/L: 13.859 
 
 Surface and Volume Properties
  Accessible surface: 470.367  Positive charged surface: 367.443  Negative charged surface: 102.924  Volume: 219.625
  Hydrophobic surface: 334.94  Hydrophilic surface: 135.427
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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


MMs02195256
NANOSIN-ZINC01506893