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ASINEX-ZINC01359373

 MMsINC code: MMs00245565
Type: Neutral
Formula: C24H34N4O4S
SMILES:   S(=O)(=O)(N(CC)CC)c1ccc(cc1)-c1nc(on1)C1CCN(CC1)C(=O)C1CCCCC
1
InChI:   InChI=1/C24H34N4O4S/c1-3-28(4-2)33(30,31)21-12-10-18(11-13-21)22-25-23(32-26-22)19-14-16-27(17-15-19)24(29)20-8-6-5-7-9-20/h10-13,19-20H,3-9,14-17H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.2895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 474.626 g/mol  logS: -6.13478  SlogP: 4.0534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0396101  Sterimol/B1: 2.18568  Sterimol/B2: 2.51549  Sterimol/B3: 5.22228
  Sterimol/B4: 6.83873  Sterimol/L: 23.2341 
 
 Surface and Volume Properties
  Accessible surface: 779.011  Positive charged surface: 518.917  Negative charged surface: 260.093  Volume: 449.75
  Hydrophobic surface: 614.562  Hydrophilic surface: 164.449
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1
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Ions/Tautomers related molecules: no related molecules available.