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ENAMINE-ZINC03235270

 MMsINC code: MMs01321386
Type: Neutral
Formula: C24H28N4O5S
SMILES:   S(=O)(=O)(N1CCOCC1)c1ccc(cc1)CCC(=O)NC=1C(=O)N(N(C)C=1C)c1cc
ccc1
InChI:   InChI=1/C24H28N4O5S/c1-18-23(24(30)28(26(18)2)20-6-4-3-5-7-20)25-22(29)13-10-19-8-11-21(12-9-19)34(31,32)27-14-16-33-17-15-27/h3-9,11-12H,10,13-17H2,1-2H3,(H,25,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=148.437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 484.577 g/mol  logS: -4.13587  SlogP: 1.88137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235172  Sterimol/B1: 1.99586  Sterimol/B2: 3.76121  Sterimol/B3: 4.18693
  Sterimol/B4: 8.98179  Sterimol/L: 22.9362 
 
 Surface and Volume Properties
  Accessible surface: 788.285  Positive charged surface: 511.771  Negative charged surface: 276.514  Volume: 445.25
  Hydrophobic surface: 651.588  Hydrophilic surface: 136.697
 
 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.