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PUBCHEM-ZINC02047402

 MMsINC code: MMs02865372
Type: Neutral
Formula: C14H20O4
SMILES:   O(C)c1c(O)c(CC=C(C)C)c(C)c(O)c1OC
InChI:   InChI=1/C14H20O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6,15-16H,7H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.9091 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.31 g/mol  logS: -2.74117  SlogP: 2.93209  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108692  Sterimol/B1: 2.04878  Sterimol/B2: 3.44214  Sterimol/B3: 3.48373
  Sterimol/B4: 8.60236  Sterimol/L: 14.0799 
 
 Surface and Volume Properties
  Accessible surface: 483.022  Positive charged surface: 373.243  Negative charged surface: 109.779  Volume: 256.5
  Hydrophobic surface: 405.196  Hydrophilic surface: 77.826
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.