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ENAMINE-ZINC01707584

 MMsINC code: MMs01243519
Type: Neutral
Formula: C12H6Cl3NO3
SMILES:   Clc1cc(Cl)c(Cl)cc1Oc1ccccc1[N+](=O)[O-]
InChI:   InChI=1/C12H6Cl3NO3/c13-7-5-9(15)12(6-8(7)14)19-11-4-2-1-3-10(11)16(17)18/h1-6H

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Potential Energy
Epot(MMFF94)=75.0308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.543 g/mol  logS: -6.16069  SlogP: 5.3473  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145219  Sterimol/B1: 2.94862  Sterimol/B2: 4.60667  Sterimol/B3: 4.63646
  Sterimol/B4: 6.3646  Sterimol/L: 13.4266 
 
 Surface and Volume Properties
  Accessible surface: 471.851  Positive charged surface: 133.035  Negative charged surface: 338.816  Volume: 242.75
  Hydrophobic surface: 396.209  Hydrophilic surface: 75.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.