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PUBCHEM-ZINC05882397

 MMsINC code: MMs03427038
Type: Neutral
Formula: C15H16Cl2FN3O2S
SMILES:   Clc1cc(Sc2n(CF)c(nc2C(C)C)COC(=O)N)cc(Cl)c1
InChI:   InChI=1/C15H16Cl2FN3O2S/c1-8(2)13-14(24-11-4-9(16)3-10(17)5-11)21(7-18)12(20-13)6-23-15(19)22/h3-5,8H,6-7H2,1-2H3,(H2,19,22)

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Potential Energy
Epot(MMFF94)=31.9992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.282 g/mol  logS: -5.41509  SlogP: 5.5196  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.205644  Sterimol/B1: 2.42989  Sterimol/B2: 3.74351  Sterimol/B3: 4.22728
  Sterimol/B4: 9.76434  Sterimol/L: 15.0778 
 
 Surface and Volume Properties
  Accessible surface: 594.345  Positive charged surface: 303.159  Negative charged surface: 291.186  Volume: 322.5
  Hydrophobic surface: 399.282  Hydrophilic surface: 195.063
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.