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ASINEX-ZINC02055852

 MMsINC code: MMs00261458
Type: Neutral
Formula: C18H16NO5PS
SMILES:   S(=O)(=O)(NP(Oc1ccccc1)(Oc1ccccc1)=O)c1ccccc1
InChI:   InChI=1/C18H16NO5PS/c20-25(23-16-10-4-1-5-11-16,24-17-12-6-2-7-13-17)19-26(21,22)18-14-8-3-9-15-18/h1-15H,(H,19,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.368 g/mol  logS: -5.04242  SlogP: 3.1608  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21128  Sterimol/B1: 3.27535  Sterimol/B2: 3.64935  Sterimol/B3: 5.34995
  Sterimol/B4: 6.44575  Sterimol/L: 14.3483 
 
 Surface and Volume Properties
  Accessible surface: 545.814  Positive charged surface: 307.103  Negative charged surface: 238.711  Volume: 332.375
  Hydrophobic surface: 463.529  Hydrophilic surface: 82.285
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.