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AURORAFEINCHEMIE-ZINC02665379

 MMsINC code: MMs00455453
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)=83.0041 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: 0.0826475  Sterimol/B1: 2.15418  Sterimol/B2: 3.01968  Sterimol/B3: 5.22108
  Sterimol/B4: 8.25006  Sterimol/L: 16.8236 
 
 Surface and Volume Properties
  Accessible surface: 593.465  Positive charged surface: 430.734  Negative charged surface: 162.73  Volume: 327.875
  Hydrophobic surface: 383.659  Hydrophilic surface: 209.806
 
 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.