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IBS-ZINC00306874

 MMsINC code: MMs01734692
Type: Neutral
Formula: C11H7ClF4N2
SMILES:   Clc1ccc(cc1)-c1n[nH]c(c1)C(F)(F)C(F)F
InChI:   InChI=1/C11H7ClF4N2/c12-7-3-1-6(2-4-7)8-5-9(18-17-8)11(15,16)10(13)14/h1-5,10H,(H,17,18)

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Potential Energy
Epot(MMFF94)=55.5245 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.636 g/mol  logS: -4.30832  SlogP: 4.8184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0371188  Sterimol/B1: 2.51622  Sterimol/B2: 2.83962  Sterimol/B3: 2.9397
  Sterimol/B4: 5.16131  Sterimol/L: 14.8266 
 
 Surface and Volume Properties
  Accessible surface: 436.004  Positive charged surface: 148.4  Negative charged surface: 287.604  Volume: 209.75
  Hydrophobic surface: 246.101  Hydrophilic surface: 189.903
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.