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IBS-ZINC04025522

 MMsINC code: MMs01874725
Type: Neutral
Formula: C19H27NO6
SMILES:   O1C2C(OC(OC2)(C)C)C(O)C(NC(=O)C)C1OCCc1ccccc1
InChI:   InChI=1/C19H27NO6/c1-12(21)20-15-16(22)17-14(11-24-19(2,3)26-17)25-18(15)23-10-9-13-7-5-4-6-8-13/h4-8,14-18,22H,9-11H2,1-3H3,(H,20,21)/t14-,15+,16+,17+,18+/m1/s1

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Potential Energy
Epot(MMFF94)=94.8836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.426 g/mol  logS: -2.85665  SlogP: 0.98767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0893166  Sterimol/B1: 2.25066  Sterimol/B2: 2.52326  Sterimol/B3: 5.41882
  Sterimol/B4: 8.2076  Sterimol/L: 16.4477 
 
 Surface and Volume Properties
  Accessible surface: 615.998  Positive charged surface: 418.325  Negative charged surface: 197.672  Volume: 349.625
  Hydrophobic surface: 488.472  Hydrophilic surface: 127.526
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.