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MDPI-ZINC02004429

 MMsINC code: MMs02176193
Type: Neutral
Formula: C18H15PS3
SMILES:   S(P(Sc1ccccc1)Sc1ccccc1)c1ccccc1
InChI:   InChI=1/C18H15PS3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.526 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.49 g/mol  logS: -8.03472  SlogP: 7.5902  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.151415  Sterimol/B1: 2.42454  Sterimol/B2: 2.94854  Sterimol/B3: 4.38298
  Sterimol/B4: 10.7863  Sterimol/L: 13.9467 
 
 Surface and Volume Properties
  Accessible surface: 610.5  Positive charged surface: 306.509  Negative charged surface: 303.99  Volume: 338.5
  Hydrophobic surface: 603.326  Hydrophilic surface: 7.174
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1
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Ions/Tautomers related molecules: no related molecules available.