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CHEMSTAR-ZINC01741952

 MMsINC code: MMs01079100
Type: Neutral
Formula: C17H12ClF3N2OS
SMILES:   Clc1ccc(cc1NC(=S)NC(=O)\C=C\c1ccccc1)C(F)(F)F
InChI:   InChI=1/C17H12ClF3N2OS/c18-13-8-7-12(17(19,20)21)10-14(13)22-16(25)23-15(24)9-6-11-4-2-1-3-5-11/h1-10H,(H2,22,23,24,25)/b9-6+

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Potential Energy
Epot(MMFF94)=130.302 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.809 g/mol  logS: -7.11502  SlogP: 5.1967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0186137  Sterimol/B1: 2.93972  Sterimol/B2: 3.60062  Sterimol/B3: 4.64932
  Sterimol/B4: 5.23228  Sterimol/L: 18.7243 
 
 Surface and Volume Properties
  Accessible surface: 595.595  Positive charged surface: 220.014  Negative charged surface: 375.581  Volume: 313.875
  Hydrophobic surface: 387.925  Hydrophilic surface: 207.67
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.