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NCID-ZINC05767483

 MMsINC code: MMs02497236
Type: Neutral
Formula: C14H20N2O10
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(NC(=O)C)C1[N+](=O)[O-]
InChI:   InChI=1/C14H20N2O10/c1-6(17)15-11-13(25-9(4)20)12(24-8(3)19)10(5-23-7(2)18)26-14(11)16(21)22/h10-14H,5H2,1-4H3,(H,15,17)/t10-,11+,12+,13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=79.7256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.318 g/mol  logS: -1.94998  SlogP: -1.0808  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.315538  Sterimol/B1: 2.39218  Sterimol/B2: 4.65578  Sterimol/B3: 6.35589
  Sterimol/B4: 7.11315  Sterimol/L: 14.5727 
 
 Surface and Volume Properties
  Accessible surface: 594.737  Positive charged surface: 322.056  Negative charged surface: 272.681  Volume: 314.875
  Hydrophobic surface: 382.426  Hydrophilic surface: 212.311
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.