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ENAMINE-ZINC03548234

MMsINC code: MMs01501963

Type: Neutral
Formula: C21H20N2O4S
SMILES:   S(=O)(=O)(N(C)c1ccccc1)c1ccc(cc1)C(=O)Nc1ccc(OC)cc1
InChI:   InChI=1/C21H20N2O4S/c1-23(18-6-4-3-5-7-18)28(25,26)20-14-8-16(9-15-20)21(24)22-17-10-12-19(27-2)13-11-17/h3-15H,1-2H3,(H,22,24)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=126.627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.467 g/mol  logS: -5.14267  SlogP: 3.7726  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0657306  Sterimol/B1: 2.36825  Sterimol/B2: 3.26073  Sterimol/B3: 4.92227
  Sterimol/B4: 7.22912  Sterimol/L: 20.1224 
 
 Surface and Volume Properties
  Accessible surface: 638.737  Positive charged surface: 374.356  Negative charged surface: 264.381  Volume: 363.375
  Hydrophobic surface: 537.413  Hydrophilic surface: 101.324
 
 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: 1

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Ions/Tautomers related molecules: no related molecules available.