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NCID-ZINC05716202

 MMsINC code: MMs02488784
Type: Neutral
Formula: C17H32N2O6
SMILES:   O(C(C)(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCOC)C(OC)=O
InChI:   InChI=1/C17H32N2O6/c1-11(2)10-13(19-16(22)25-17(3,4)5)14(20)18-12(8-9-23-6)15(21)24-7/h11-13H,8-10H2,1-7H3,(H,18,20)(H,19,22)/t12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=74.6253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.451 g/mol  logS: -3.30613  SlogP: 1.6201  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0772728  Sterimol/B1: 1.969  Sterimol/B2: 3.64918  Sterimol/B3: 4.31113
  Sterimol/B4: 10.2228  Sterimol/L: 16.5414 
 
 Surface and Volume Properties
  Accessible surface: 671.949  Positive charged surface: 512.695  Negative charged surface: 159.254  Volume: 358.125
  Hydrophobic surface: 478.249  Hydrophilic surface: 193.7
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.