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ASINEX-ZINC00933339

 MMsINC code: MMs00225816
Type: Neutral
Formula: C26H29N3O6S2
SMILES:   S(=O)(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N(Cc2cc3OCOc3cc2)Cc2ncccc
2)cc1
InChI:   InChI=1/C26H29N3O6S2/c30-36(31,28-21-6-2-1-3-7-21)23-10-12-24(13-11-23)37(32,33)29(18-22-8-4-5-15-27-22)17-20-9-14-25-26(16-20)35-19-34-25/h4-5,8-16,21,28H,1-3,6-7,17-19H2

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Potential Energy
Epot(MMFF94)=66.7321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 543.665 g/mol  logS: -4.99324  SlogP: 4.3452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0660728  Sterimol/B1: 3.14712  Sterimol/B2: 3.17071  Sterimol/B3: 6.13952
  Sterimol/B4: 9.03036  Sterimol/L: 21.1933 
 
 Surface and Volume Properties
  Accessible surface: 772.66  Positive charged surface: 496.4  Negative charged surface: 276.26  Volume: 477.25
  Hydrophobic surface: 579.756  Hydrophilic surface: 192.904
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  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.