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PUBCHEM-ZINC05900949

 MMsINC code: MMs03436079
Type: Neutral
Formula: C10H11ClFN3S
SMILES:   Clc1cccc(F)c1\C=N\N=C(/SCC)\N
InChI:   InChI=1/C10H11ClFN3S/c1-2-16-10(13)15-14-6-7-8(11)4-3-5-9(7)12/h3-6H,2H2,1H3,(H2,13,15)/b14-6+

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Potential Energy
Epot(MMFF94)=31.4595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.736 g/mol  logS: -4.37533  SlogP: 2.8808  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00848508  Sterimol/B1: 2.37509  Sterimol/B2: 2.37512  Sterimol/B3: 3.29085
  Sterimol/B4: 5.74813  Sterimol/L: 14.9293 
 
 Surface and Volume Properties
  Accessible surface: 458.698  Positive charged surface: 255.712  Negative charged surface: 202.986  Volume: 222.625
  Hydrophobic surface: 322.513  Hydrophilic surface: 136.185
 
 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.