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CHEMDIV-ZINC03047888

 MMsINC code: MMs00907954
Type: Neutral
Formula: C23H24ClFN2O4S
SMILES:   Clc1cc(NC(=O)c2oc3c(cc(S(=O)(=O)N4CC(CC(C4)C)C)cc3)c2C)ccc1F
InChI:   InChI=1/C23H24ClFN2O4S/c1-13-8-14(2)12-27(11-13)32(29,30)17-5-7-21-18(10-17)15(3)22(31-21)23(28)26-16-4-6-20(25)19(24)9-16/h4-7,9-10,13-14H,8,11-12H2,1-3H3,(H,26,28)/t13-,14+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.7679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 478.972 g/mol  logS: -7.21411  SlogP: 5.45262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0481981  Sterimol/B1: 3.10783  Sterimol/B2: 3.20473  Sterimol/B3: 5.5185
  Sterimol/B4: 6.99246  Sterimol/L: 21.151 
 
 Surface and Volume Properties
  Accessible surface: 730.728  Positive charged surface: 401.997  Negative charged surface: 323.222  Volume: 416.125
  Hydrophobic surface: 593.665  Hydrophilic surface: 137.063
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.