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NCID-ZINC01857389

 MMsINC code: MMs02372503
Type: Neutral
Formula: C10H17NO6
SMILES:   OC(=O)CCC([N+](=O)[O-])(CCC(O)=O)CCC
InChI:   InChI=1/C10H17NO6/c1-2-5-10(11(16)17,6-3-8(12)13)7-4-9(14)15/h2-7H2,1H3,(H,12,13)(H,14,15)

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Potential Energy
Epot(MMFF94)=30.6288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.247 g/mol  logS: -1.55451  SlogP: 1.5316  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.161721  Sterimol/B1: 2.14812  Sterimol/B2: 3.47328  Sterimol/B3: 4.36133
  Sterimol/B4: 7.74903  Sterimol/L: 14.0245 
 
 Surface and Volume Properties
  Accessible surface: 444.165  Positive charged surface: 246.116  Negative charged surface: 198.049  Volume: 218.125
  Hydrophobic surface: 166.409  Hydrophilic surface: 277.756
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02372504
NCID-ZINC01857389