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IBS-ZINC02140491

 MMsINC code: MMs01794841
Type: Neutral
Formula: C18H23NO7
SMILES:   O1C2C(OC1(C)C)C1OC(OC1OC2C(=O)Nc1ccccc1O)(C)C
InChI:   InChI=1/C18H23NO7/c1-17(2)23-11-12(24-17)14-16(26-18(3,4)25-14)22-13(11)15(21)19-9-7-5-6-8-10(9)20/h5-8,11-14,16,20H,1-4H3,(H,19,21)/t11-,12+,13-,14-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=131.564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.382 g/mol  logS: -3.68623  SlogP: 1.7272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0776467  Sterimol/B1: 2.52391  Sterimol/B2: 3.52664  Sterimol/B3: 4.57535
  Sterimol/B4: 8.18301  Sterimol/L: 15.7262 
 
 Surface and Volume Properties
  Accessible surface: 583.923  Positive charged surface: 372.873  Negative charged surface: 211.05  Volume: 328.625
  Hydrophobic surface: 388.776  Hydrophilic surface: 195.147
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  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.