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PUBCHEM-ZINC01148761

 MMsINC code: MMs02779434
Type: Neutral
Formula: C25H27N3O4S
SMILES:   S(=O)(=O)(N(Cc1ccc(cc1)C(=O)Nc1ccc(NC(=O)C)cc1)c1cc(C)c(cc1)
C)C
InChI:   InChI=1/C25H27N3O4S/c1-17-5-14-24(15-18(17)2)28(33(4,31)32)16-20-6-8-21(9-7-20)25(30)27-23-12-10-22(11-13-23)26-19(3)29/h5-15H,16H2,1-4H3,(H,26,29)(H,27,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 465.574 g/mol  logS: -6.19362  SlogP: 4.74674  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0412536  Sterimol/B1: 2.06711  Sterimol/B2: 3.09332  Sterimol/B3: 4.77216
  Sterimol/B4: 9.29956  Sterimol/L: 20.8176 
 
 Surface and Volume Properties
  Accessible surface: 764.515  Positive charged surface: 448.046  Negative charged surface: 316.47  Volume: 438.125
  Hydrophobic surface: 622.526  Hydrophilic surface: 141.989
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.