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AURORAFEINCHEMIE-ZINC04084157

 MMsINC code: MMs00467701
Type: Neutral
Formula: C14H25NO9
SMILES:   O1C(COC(=O)CNC(OC(C)(C)C)=O)C(O)C(O)C(O)C1OC
InChI:   InChI=1/C14H25NO9/c1-14(2,3)24-13(20)15-5-8(16)22-6-7-9(17)10(18)11(19)12(21-4)23-7/h7,9-12,17-19H,5-6H2,1-4H3,(H,15,20)/t7-,9+,10-,11+,12-/m0/s1

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Potential Energy
Epot(MMFF94)=90.2063 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.352 g/mol  logS: -0.93696  SlogP: -1.4917  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.040907  Sterimol/B1: 2.73498  Sterimol/B2: 4.38821  Sterimol/B3: 4.3965
  Sterimol/B4: 5.52595  Sterimol/L: 18.2657 
 
 Surface and Volume Properties
  Accessible surface: 626.328  Positive charged surface: 483.289  Negative charged surface: 143.038  Volume: 314
  Hydrophobic surface: 355.798  Hydrophilic surface: 270.53
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.