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ENAMINE-ZINC03285001

 MMsINC code: MMs01350069
Type: Neutral
Formula: C24H20N2O5S
SMILES:   S(=O)(=O)(c1ccc(cc1)C)c1ccc(-n2ncc(c2)C(=O)c2cc(OC)ccc2O)cc1
InChI:   InChI=1/C24H20N2O5S/c1-16-3-8-20(9-4-16)32(29,30)21-10-5-18(6-11-21)26-15-17(14-25-26)24(28)22-13-19(31-2)7-12-23(22)27/h3-15,27H,1-2H3

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Potential Energy
Epot(MMFF94)=124.791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 448.499 g/mol  logS: -5.7385  SlogP: 3.95872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0441644  Sterimol/B1: 2.14406  Sterimol/B2: 4.04355  Sterimol/B3: 4.14384
  Sterimol/B4: 7.79357  Sterimol/L: 21.731 
 
 Surface and Volume Properties
  Accessible surface: 731.442  Positive charged surface: 392.717  Negative charged surface: 338.725  Volume: 407.125
  Hydrophobic surface: 558.875  Hydrophilic surface: 172.567
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.