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IBS-ZINC00262630

 MMsINC code: MMs01733960
Type: Neutral
Formula: C11H11Cl3N2O4
SMILES:   ClC(Cl)(Cl)C1NOC(OC)(C1)c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C11H11Cl3N2O4/c1-19-10(6-9(15-20-10)11(12,13)14)7-2-4-8(5-3-7)16(17)18/h2-5,9,15H,6H2,1H3/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=102.709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.578 g/mol  logS: -4.94557  SlogP: 3.7891  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.131843  Sterimol/B1: 2.50255  Sterimol/B2: 2.77879  Sterimol/B3: 4.60901
  Sterimol/B4: 6.9582  Sterimol/L: 14.5482 
 
 Surface and Volume Properties
  Accessible surface: 496.79  Positive charged surface: 179.652  Negative charged surface: 317.138  Volume: 259.25
  Hydrophobic surface: 224.361  Hydrophilic surface: 272.429
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.