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NCID-ZINC05461418

 MMsINC code: MMs02463940
Type: Neutral
Formula: C7H6Cl4N2O4
SMILES:   ClC1=NOC(C1)C(NC(=O)C(Cl)(Cl)Cl)C(O)=O
InChI:   InChI=1/C7H6Cl4N2O4/c8-3-1-2(17-13-3)4(5(14)15)12-6(16)7(9,10)11/h2,4H,1H2,(H,12,16)(H,14,15)/t2-,4-/m0/s1

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Potential Energy
Epot(MMFF94)=72.8357 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.947 g/mol  logS: -3.57761  SlogP: 1.6871  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117054  Sterimol/B1: 2.41482  Sterimol/B2: 3.89506  Sterimol/B3: 4.57169
  Sterimol/B4: 4.68326  Sterimol/L: 14.3657 
 
 Surface and Volume Properties
  Accessible surface: 460.457  Positive charged surface: 115.714  Negative charged surface: 344.743  Volume: 219.5
  Hydrophobic surface: 60.8083  Hydrophilic surface: 399.6487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs02463941
NCID-ZINC05461418