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ASINEX-ZINC00918783

 MMsINC code: MMs00220094
Type: Neutral
Formula: C26H25N3O7S
SMILES:   S(=O)(=O)(N(CC1=Cc2cc(OC)c(OC)cc2NC1=O)Cc1cccnc1)c1cc(ccc1)C
(OC)=O
InChI:   InChI=1/C26H25N3O7S/c1-34-23-12-19-10-20(25(30)28-22(19)13-24(23)35-2)16-29(15-17-6-5-9-27-14-17)37(32,33)21-8-4-7-18(11-21)26(31)36-3/h4-14H,15-16H2,1-3H3,(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 523.566 g/mol  logS: -4.92493  SlogP: 3.3784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103365  Sterimol/B1: 2.70544  Sterimol/B2: 5.99804  Sterimol/B3: 6.22144
  Sterimol/B4: 7.00703  Sterimol/L: 17.6527 
 
 Surface and Volume Properties
  Accessible surface: 720.853  Positive charged surface: 495.87  Negative charged surface: 224.982  Volume: 465.75
  Hydrophobic surface: 554.673  Hydrophilic surface: 166.18
 
 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.