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CHEMBRIDGE-ZINC02273428

 MMsINC code: MMs00705781
Type: Neutral
Formula: C10H16N2O7
SMILES:   O(C(=O)CN(NC(=O)CCC(O)=O)CC(OC)=O)C
InChI:   InChI=1/C10H16N2O7/c1-18-9(16)5-12(6-10(17)19-2)11-7(13)3-4-8(14)15/h3-6H2,1-2H3,(H,11,13)(H,14,15)

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Potential Energy
Epot(MMFF94)=78.6425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.245 g/mol  logS: -0.112  SlogP: -1.4696  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0912562  Sterimol/B1: 2.5474  Sterimol/B2: 2.57639  Sterimol/B3: 3.63882
  Sterimol/B4: 10.0395  Sterimol/L: 14.0482 
 
 Surface and Volume Properties
  Accessible surface: 516.532  Positive charged surface: 408.122  Negative charged surface: 108.41  Volume: 240.375
  Hydrophobic surface: 327.51  Hydrophilic surface: 189.022
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00705782
CHEMBRIDGE-ZINC02273428