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ASINEX-ZINC00883391

 MMsINC code: MMs00207013
Type: Neutral
Formula: C24H19ClF3N3O3S
SMILES:   Clc1ccc(cc1S(=O)(=O)N(CC1=Cc2cc(ccc2NC1=O)C)Cc1cccnc1)C(F)(F
)F
InChI:   InChI=1/C24H19ClF3N3O3S/c1-15-4-7-21-17(9-15)10-18(23(32)30-21)14-31(13-16-3-2-8-29-12-16)35(33,34)22-11-19(24(26,27)28)5-6-20(22)25/h2-12H,13-14H2,1H3,(H,30,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.7074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 521.947 g/mol  logS: -6.7072  SlogP: 5.86672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104524  Sterimol/B1: 3.38766  Sterimol/B2: 5.2214  Sterimol/B3: 6.21464
  Sterimol/B4: 6.65377  Sterimol/L: 17.0488 
 
 Surface and Volume Properties
  Accessible surface: 676.498  Positive charged surface: 343.265  Negative charged surface: 333.233  Volume: 425.875
  Hydrophobic surface: 456.422  Hydrophilic surface: 220.076
 
 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.