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CHEMDIV-ZINC01085857

 MMsINC code: MMs00862460
Type: Neutral
Formula: C19H19ClF2N2O3S
SMILES:   Clc1cc(F)c(F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChI:   InChI=1/C19H19ClF2N2O3S/c1-12-4-2-3-9-24(12)28(26,27)14-7-5-13(6-8-14)23-19(25)15-10-17(21)18(22)11-16(15)20/h5-8,10-12H,2-4,9H2,1H3,(H,23,25)/t12-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.887 g/mol  logS: -5.67404  SlogP: 4.4336  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0611495  Sterimol/B1: 3.11889  Sterimol/B2: 3.26023  Sterimol/B3: 5.10097
  Sterimol/B4: 6.18001  Sterimol/L: 18.7578 
 
 Surface and Volume Properties
  Accessible surface: 627.632  Positive charged surface: 320.744  Negative charged surface: 306.888  Volume: 355
  Hydrophobic surface: 536.37  Hydrophilic surface: 91.262
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.