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AURORAFEINCHEMIE-ZINC02665381

 MMsINC code: MMs00455455
Type: Neutral
Formula: C16H26N2O7
SMILES:   O1C2C(OC1(C)C)C1OC(OC1OC2C(=O)NC(C(=O)NC)C)(C)C
InChI:   InChI=1/C16H26N2O7/c1-7(12(19)17-6)18-13(20)10-8-9(23-15(2,3)22-8)11-14(21-10)25-16(4,5)24-11/h7-11,14H,1-6H3,(H,17,19)(H,18,20)/t7-,8+,9-,10-,11+,14+/m0/s1

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Potential Energy
Epot(MMFF94)=86.9061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.391 g/mol  logS: -2.7241  SlogP: -0.3664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10248  Sterimol/B1: 2.00238  Sterimol/B2: 3.08501  Sterimol/B3: 4.72367
  Sterimol/B4: 8.47646  Sterimol/L: 16.9978 
 
 Surface and Volume Properties
  Accessible surface: 606.922  Positive charged surface: 425.928  Negative charged surface: 180.994  Volume: 328.5
  Hydrophobic surface: 374.581  Hydrophilic surface: 232.341
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.