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CHEMDIV-ZINC03624916

 MMsINC code: MMs00911718
Type: Neutral
Formula: C23H28Cl2N2O4S
SMILES:   Clc1cc(S(=O)(=O)N2CCCC2C(=O)NCCOc2ccc(cc2)C(C)(C)C)ccc1Cl
InChI:   InChI=1/C23H28Cl2N2O4S/c1-23(2,3)16-6-8-17(9-7-16)31-14-12-26-22(28)21-5-4-13-27(21)32(29,30)18-10-11-19(24)20(25)15-18/h6-11,15,21H,4-5,12-14H2,1-3H3,(H,26,28)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 499.459 g/mol  logS: -7.35627  SlogP: 4.6392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0662154  Sterimol/B1: 4.05526  Sterimol/B2: 4.56981  Sterimol/B3: 4.82096
  Sterimol/B4: 7.79029  Sterimol/L: 21.2933 
 
 Surface and Volume Properties
  Accessible surface: 780.515  Positive charged surface: 431.489  Negative charged surface: 349.026  Volume: 444
  Hydrophobic surface: 655.415  Hydrophilic surface: 125.1
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.