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PEAKDALE-ZINC01495065

 MMsINC code: MMs02609103
Type: Neutral
Formula: C23H20N2O4S
SMILES:   S(=O)(=O)(C)c1cc2NC(=O)C(N(c2cc1)C(=O)c1ccccc1)Cc1ccccc1
InChI:   InChI=1/C23H20N2O4S/c1-30(28,29)18-12-13-20-19(15-18)24-22(26)21(14-16-8-4-2-5-9-16)25(20)23(27)17-10-6-3-7-11-17/h2-13,15,21H,14H2,1H3,(H,24,26)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=235.687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.489 g/mol  logS: -5.56987  SlogP: 3.30027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175676  Sterimol/B1: 3.34786  Sterimol/B2: 4.3183  Sterimol/B3: 5.48972
  Sterimol/B4: 6.09613  Sterimol/L: 16.3458 
 
 Surface and Volume Properties
  Accessible surface: 612.635  Positive charged surface: 313.521  Negative charged surface: 299.114  Volume: 372
  Hydrophobic surface: 459.159  Hydrophilic surface: 153.476
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.