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CHEMDIV-ZINC03046966

 MMsINC code: MMs00907814
Type: Neutral
Formula: C25H32N2O4S
SMILES:   S(=O)(=O)(N(CCCC)CCCC)c1cc2c(oc(C(=O)NCc3ccccc3)c2C)cc1
InChI:   InChI=1/C25H32N2O4S/c1-4-6-15-27(16-7-5-2)32(29,30)21-13-14-23-22(17-21)19(3)24(31-23)25(28)26-18-20-11-9-8-10-12-20/h8-14,17H,4-7,15-16,18H2,1-3H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.8967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.607 g/mol  logS: -7.05959  SlogP: 5.52852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0670988  Sterimol/B1: 2.53728  Sterimol/B2: 2.65221  Sterimol/B3: 6.65412
  Sterimol/B4: 8.698  Sterimol/L: 21.393 
 
 Surface and Volume Properties
  Accessible surface: 780.798  Positive charged surface: 492.58  Negative charged surface: 284.138  Volume: 449.625
  Hydrophobic surface: 631.932  Hydrophilic surface: 148.866
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.