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ASINEX-ZINC01324329

 MMsINC code: MMs00234586
Type: Neutral
Formula: C20H13ClF2N2OS
SMILES:   Clc1cc(NC(=O)c2n(c3c(scc3)c2)Cc2ccc(F)cc2)ccc1F
InChI:   InChI=1/C20H13ClF2N2OS/c21-15-9-14(5-6-16(15)23)24-20(26)18-10-19-17(7-8-27-19)25(18)11-12-1-3-13(22)4-2-12/h1-10H,11H2,(H,24,26)

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Potential Energy
Epot(MMFF94)=114.223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.852 g/mol  logS: -6.4064  SlogP: 6.2014  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0624312  Sterimol/B1: 3.0285  Sterimol/B2: 3.91861  Sterimol/B3: 4.55423
  Sterimol/B4: 7.31408  Sterimol/L: 15.8999 
 
 Surface and Volume Properties
  Accessible surface: 583.038  Positive charged surface: 215.968  Negative charged surface: 367.07  Volume: 337.5
  Hydrophobic surface: 541.392  Hydrophilic surface: 41.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.