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PUBCHEM-ZINC00345577

 MMsINC code: MMs02660106
Type: Neutral
Formula: C10H11NO5
SMILES:   O1C(Oc2cc([N+](=O)[O-])ccc2OC1C)C
InChI:   InChI=1/C10H11NO5/c1-6-14-7(2)16-10-5-8(11(12)13)3-4-9(10)15-6/h3-7H,1-2H3/t6-,7+/m0/s1

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Potential Energy
Epot(MMFF94)=61.0352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.2 g/mol  logS: -2.98323  SlogP: 2.0746  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0460094  Sterimol/B1: 2.49579  Sterimol/B2: 2.57752  Sterimol/B3: 2.73611
  Sterimol/B4: 7.01549  Sterimol/L: 12.2706 
 
 Surface and Volume Properties
  Accessible surface: 413.22  Positive charged surface: 224.941  Negative charged surface: 188.279  Volume: 192.125
  Hydrophobic surface: 264.67  Hydrophilic surface: 148.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.