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NCID-ZINC05767487

 MMsINC code: MMs02497238
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)=78.2301 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: 0.363168  Sterimol/B1: 2.11863  Sterimol/B2: 5.3356  Sterimol/B3: 5.41482
  Sterimol/B4: 9.63191  Sterimol/L: 14.0346 
 
 Surface and Volume Properties
  Accessible surface: 603.253  Positive charged surface: 321.639  Negative charged surface: 281.614  Volume: 313.375
  Hydrophobic surface: 375.467  Hydrophilic surface: 227.786
 
 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.