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CHEMBRIDGE-ZINC00237599

 MMsINC code: MMs00597388
Type: Neutral
Formula: C10H5ClF3NO2
SMILES:   Clc1cc(-c2noc(c2)C(F)(F)F)c(O)cc1
InChI:   InChI=1/C10H5ClF3NO2/c11-5-1-2-8(16)6(3-5)7-4-9(17-15-7)10(12,13)14/h1-4,16H

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Potential Energy
Epot(MMFF94)=58.0569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.602 g/mol  logS: -4.00822  SlogP: 4.0309  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0170089  Sterimol/B1: 2.26118  Sterimol/B2: 2.76429  Sterimol/B3: 4.66312
  Sterimol/B4: 4.72204  Sterimol/L: 12.621 
 
 Surface and Volume Properties
  Accessible surface: 411.761  Positive charged surface: 118.901  Negative charged surface: 292.86  Volume: 192.625
  Hydrophobic surface: 236.268  Hydrophilic surface: 175.493
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.