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NCID-ZINC00394568

 MMsINC code: MMs02215266
Type: Neutral
Formula: C11H14O5
SMILES:   O(C)c1cc(OC)cc(OC)c1C(OC)=O
InChI:   InChI=1/C11H14O5/c1-13-7-5-8(14-2)10(11(12)16-4)9(6-7)15-3/h5-6H,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.4196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.228 g/mol  logS: -1.91775  SlogP: 1.499  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.048566  Sterimol/B1: 2.65799  Sterimol/B2: 3.5031  Sterimol/B3: 5.23954
  Sterimol/B4: 6.07238  Sterimol/L: 12.8563 
 
 Surface and Volume Properties
  Accessible surface: 452.258  Positive charged surface: 377.098  Negative charged surface: 75.1605  Volume: 212.375
  Hydrophobic surface: 395.278  Hydrophilic surface: 56.98
 
 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.