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CHEMDIV-ZINC03007904

 MMsINC code: MMs00901287
Type: Neutral
Formula: C24H21ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)c2ccc(cc2NC(=O)C)C(=O)N2CCc3c(C2)cccc3)cc1
InChI:   InChI=1/C24H21ClN2O4S/c1-16(28)26-22-14-18(24(29)27-13-12-17-4-2-3-5-19(17)15-27)6-11-23(22)32(30,31)21-9-7-20(25)8-10-21/h2-11,14H,12-13,15H2,1H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.961 g/mol  logS: -6.28508  SlogP: 4.59607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15804  Sterimol/B1: 2.54173  Sterimol/B2: 2.8947  Sterimol/B3: 6.90435
  Sterimol/B4: 8.51786  Sterimol/L: 14.9106 
 
 Surface and Volume Properties
  Accessible surface: 689.58  Positive charged surface: 334.39  Negative charged surface: 355.191  Volume: 410
  Hydrophobic surface: 570.029  Hydrophilic surface: 119.551
 
 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: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.