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APOLLO-ZINC02383382

 MMsINC code: MMs00051887
Type: Neutral
Formula: C19H10ClF6N3O4S
SMILES:   Clc1nc(C(F)(F)F)c(cn1)C(=O)Nc1cc(ccc1Oc1ccsc1C(OC)=O)C(F)(F)
F
InChI:   InChI=1/C19H10ClF6N3O4S/c1-32-16(31)13-12(4-5-34-13)33-11-3-2-8(18(21,22)23)6-10(11)28-15(30)9-7-27-17(20)29-14(9)19(24,25)26/h2-7H,1H3,(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 525.813 g/mol  logS: -7.83089  SlogP: 6.6833  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.128261  Sterimol/B1: 2.23112  Sterimol/B2: 6.61602  Sterimol/B3: 7.5612
  Sterimol/B4: 8.14015  Sterimol/L: 15.2499 
 
 Surface and Volume Properties
  Accessible surface: 681.943  Positive charged surface: 250.593  Negative charged surface: 431.35  Volume: 378
  Hydrophobic surface: 391.626  Hydrophilic surface: 290.317
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.