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ASINEX-ZINC00710710

 MMsINC code: MMs00151590
Type: Neutral
Formula: C27H24N4O3S
SMILES:   S(=O)(=O)(N(Cc1ccccc1)c1ccccc1C(=O)N\N=C\c1ncccc1)c1ccc(cc1)
C
InChI:   InChI=1/C27H24N4O3S/c1-21-14-16-24(17-15-21)35(33,34)31(20-22-9-3-2-4-10-22)26-13-6-5-12-25(26)27(32)30-29-19-23-11-7-8-18-28-23/h2-19H,20H2,1H3,(H,30,32)/b29-19+

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Potential Energy
Epot(MMFF94)=157.698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 484.58 g/mol  logS: -6.41217  SlogP: 4.81582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119897  Sterimol/B1: 2.56686  Sterimol/B2: 3.91432  Sterimol/B3: 6.43332
  Sterimol/B4: 7.83137  Sterimol/L: 20.3189 
 
 Surface and Volume Properties
  Accessible surface: 745.058  Positive charged surface: 446.695  Negative charged surface: 298.363  Volume: 456.25
  Hydrophobic surface: 652.3  Hydrophilic surface: 92.758
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.