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ENAMINE-ZINC02655817

 MMsINC code: MMs01278811
Type: Neutral
Formula: C24H23N3O3S2
SMILES:   S\1c2c(N(C)/C/1=N/C(=O)CCN(S(=O)(=O)c1ccccc1)c1ccc(cc1)C)ccc
c2
InChI:   InChI=1/C24H23N3O3S2/c1-18-12-14-19(15-13-18)27(32(29,30)20-8-4-3-5-9-20)17-16-23(28)25-24-26(2)21-10-6-7-11-22(21)31-24/h3-15H,16-17H2,1-2H3/b25-24-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 465.598 g/mol  logS: -6.48115  SlogP: 4.70512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0564382  Sterimol/B1: 2.15827  Sterimol/B2: 2.99288  Sterimol/B3: 5.28172
  Sterimol/B4: 11.3618  Sterimol/L: 19.5846 
 
 Surface and Volume Properties
  Accessible surface: 732.645  Positive charged surface: 408.535  Negative charged surface: 324.11  Volume: 424.5
  Hydrophobic surface: 612.604  Hydrophilic surface: 120.041
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.