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PUBCHEM-ZINC06066818

 MMsINC code: MMs03519727
Type: Neutral
Formula: C19H26O7
SMILES:   O1C(OC2C3(C)C4(C(OC(C35OC5)C12O)C=C(CC4)C)COC(=O)C)C
InChI:   InChI=1/C19H26O7/c1-10-5-6-17(8-22-11(2)20)13(7-10)25-15-18(9-23-18)16(17,4)14-19(15,21)26-12(3)24-14/h7,12-15,21H,5-6,8-9H2,1-4H3/t12-,13+,14-,15-,16+,17+,18+,19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.41 g/mol  logS: -2.84454  SlogP: 1.2823  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.231411  Sterimol/B1: 3.27831  Sterimol/B2: 5.16119  Sterimol/B3: 5.47002
  Sterimol/B4: 5.96103  Sterimol/L: 14.0635 
 
 Surface and Volume Properties
  Accessible surface: 554.529  Positive charged surface: 363.411  Negative charged surface: 191.118  Volume: 333.875
  Hydrophobic surface: 394.255  Hydrophilic surface: 160.274
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 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.