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ENAMINE-ZINC02662749

 MMsINC code: MMs01283336
Type: Neutral
Formula: C15H9ClF3N3O4S3
SMILES:   Clc1c(F)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3sccn3)cc2)c(F)cc1F
InChI:   InChI=1/C15H9ClF3N3O4S3/c16-12-10(17)7-11(18)14(13(12)19)29(25,26)21-8-1-3-9(4-2-8)28(23,24)22-15-20-5-6-27-15/h1-7,21H,(H,20,22)

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Potential Energy
Epot(MMFF94)=18.1309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 483.899 g/mol  logS: -5.79916  SlogP: 3.8154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117116  Sterimol/B1: 2.41299  Sterimol/B2: 5.02384  Sterimol/B3: 5.16667
  Sterimol/B4: 5.9243  Sterimol/L: 17.329 
 
 Surface and Volume Properties
  Accessible surface: 600.919  Positive charged surface: 238.789  Negative charged surface: 362.13  Volume: 337.75
  Hydrophobic surface: 409.415  Hydrophilic surface: 191.504
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.