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NCID-ZINC01621480

 MMsINC code: MMs02269404
Type: Neutral
Formula: C15H15NO10
SMILES:   O(C(=O)C)c1c(OC(=O)C)c([N+](=O)[O-])ccc1C(OC(=O)C)OC(=O)C
InChI:   InChI=1/C15H15NO10/c1-7(17)23-13-11(15(25-9(3)19)26-10(4)20)5-6-12(16(21)22)14(13)24-8(2)18/h5-6,15H,1-4H3

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Potential Energy
Epot(MMFF94)=80.876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.282 g/mol  logS: -3.5675  SlogP: 1.6657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161448  Sterimol/B1: 2.17696  Sterimol/B2: 2.20754  Sterimol/B3: 5.7589
  Sterimol/B4: 9.50164  Sterimol/L: 15.0318 
 
 Surface and Volume Properties
  Accessible surface: 559.028  Positive charged surface: 299.114  Negative charged surface: 259.914  Volume: 304.125
  Hydrophobic surface: 400.892  Hydrophilic surface: 158.136
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.