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NCID-ZINC05369371

 MMsINC code: MMs02455464
Type: Neutral
Formula: C19H24O6
SMILES:   O1C(C23OC2C2OC(=O)C4(C2C(C3=CC1=O)(CCC4O)C)C)C(C)C
InChI:   InChI=1/C19H24O6/c1-8(2)14-19-9(7-11(21)23-14)17(3)6-5-10(20)18(4)13(17)12(15(19)25-19)24-16(18)22/h7-8,10,12-15,20H,5-6H2,1-4H3/t10-,12+,13+,14+,15+,17+,18-,19+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.36 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.395 g/mol  logS: -3.04716  SlogP: 1.3543  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.167933  Sterimol/B1: 2.52509  Sterimol/B2: 4.20542  Sterimol/B3: 5.08169
  Sterimol/B4: 5.29596  Sterimol/L: 13.5121 
 
 Surface and Volume Properties
  Accessible surface: 510.567  Positive charged surface: 315.104  Negative charged surface: 195.463  Volume: 314.75
  Hydrophobic surface: 292.17  Hydrophilic surface: 218.397
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.