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ENAMINE-ZINC03328067

 MMsINC code: MMs01374715
Type: Neutral
Formula: C24H25ClN2O4S
SMILES:   Clc1ccc(NC(=O)CCN(S(=O)(=O)c2cc(C)c(cc2)C)c2ccc(OC)cc2)cc1
InChI:   InChI=1/C24H25ClN2O4S/c1-17-4-13-23(16-18(17)2)32(29,30)27(21-9-11-22(31-3)12-10-21)15-14-24(28)26-20-7-5-19(25)6-8-20/h4-13,16H,14-15H2,1-3H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.993 g/mol  logS: -6.73316  SlogP: 5.18954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0660692  Sterimol/B1: 2.57542  Sterimol/B2: 3.4434  Sterimol/B3: 5.53881
  Sterimol/B4: 12.176  Sterimol/L: 18.8795 
 
 Surface and Volume Properties
  Accessible surface: 754.998  Positive charged surface: 405.873  Negative charged surface: 349.125  Volume: 429
  Hydrophobic surface: 653.899  Hydrophilic surface: 101.099
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.