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ASINEX-ZINC01335161

 MMsINC code: MMs00238394
Type: Neutral
Formula: C24H27N3O3S2
SMILES:   s1c2c(nc1C1CCN(S(=O)(=O)c3ccc(cc3)C(=O)N3CCCCC3)CC1)cccc2
InChI:   InChI=1/C24H27N3O3S2/c28-24(26-14-4-1-5-15-26)19-8-10-20(11-9-19)32(29,30)27-16-12-18(13-17-27)23-25-21-6-2-3-7-22(21)31-23/h2-3,6-11,18H,1,4-5,12-17H2

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Potential Energy
Epot(MMFF94)=72.9304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 469.63 g/mol  logS: -4.86597  SlogP: 4.4907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.098717  Sterimol/B1: 3.16899  Sterimol/B2: 3.95156  Sterimol/B3: 3.95967
  Sterimol/B4: 11.12  Sterimol/L: 16.0518 
 
 Surface and Volume Properties
  Accessible surface: 698.678  Positive charged surface: 446.443  Negative charged surface: 252.235  Volume: 429.875
  Hydrophobic surface: 586.038  Hydrophilic surface: 112.64
 
 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.