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CHEMDIV-ZINC03023767

 MMsINC code: MMs00903718
Type: Neutral
Formula: C18H13ClF2N2O4S
SMILES:   Clc1cc(NC(=O)c2cc(S(=O)(=O)NCc3occc3)ccc2F)ccc1F
InChI:   InChI=1/C18H13ClF2N2O4S/c19-15-8-11(3-5-17(15)21)23-18(24)14-9-13(4-6-16(14)20)28(25,26)22-10-12-2-1-7-27-12/h1-9,22H,10H2,(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.3295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.827 g/mol  logS: -6.03657  SlogP: 4.2084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112083  Sterimol/B1: 2.7846  Sterimol/B2: 3.40309  Sterimol/B3: 5.92377
  Sterimol/B4: 8.8773  Sterimol/L: 16.249 
 
 Surface and Volume Properties
  Accessible surface: 640.775  Positive charged surface: 260.529  Negative charged surface: 380.246  Volume: 337.25
  Hydrophobic surface: 505.745  Hydrophilic surface: 135.03
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.