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CHEMBLOCK-ZINC00754627

MMsINC code: MMs00509221

Type: Neutral
Formula: C23H17NO3S
SMILES:   S(=O)(=O)(NC1c2c(Oc3c1cccc3)cccc2)c1cc2c(cc1)cccc2
InChI:   InChI=1/C23H17NO3S/c25-28(26,18-14-13-16-7-1-2-8-17(16)15-18)24-23-19-9-3-5-11-21(19)27-22-12-6-4-10-20(22)23/h1-15,23-24H

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=59.2449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.459 g/mol  logS: -7.18549  SlogP: 5.1089  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100011  Sterimol/B1: 3.13246  Sterimol/B2: 5.32756  Sterimol/B3: 5.6411
  Sterimol/B4: 6.63276  Sterimol/L: 16.1713 
 
 Surface and Volume Properties
  Accessible surface: 602.697  Positive charged surface: 291.26  Negative charged surface: 304.279  Volume: 352.875
  Hydrophobic surface: 535.31  Hydrophilic surface: 67.387
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.