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ASINEX-ZINC04539689

 MMsINC code: MMs00350481
Type: Neutral
Formula: C13H21NO6
SMILES:   O1C2C(OC1(C)C)C1OC(OC1OC2C(=O)NC)(C)C
InChI:   InChI=1/C13H21NO6/c1-12(2)17-6-7(18-12)9-11(20-13(3,4)19-9)16-8(6)10(15)14-5/h6-9,11H,1-5H3,(H,14,15)/t6-,7+,8-,9-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=80.8566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.312 g/mol  logS: -2.22432  SlogP: 0.1289  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127977  Sterimol/B1: 2.38512  Sterimol/B2: 2.52026  Sterimol/B3: 4.34685
  Sterimol/B4: 8.87005  Sterimol/L: 12.3432 
 
 Surface and Volume Properties
  Accessible surface: 496.025  Positive charged surface: 345.142  Negative charged surface: 150.883  Volume: 261.875
  Hydrophobic surface: 311.964  Hydrophilic surface: 184.061
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.