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PUBCHEM-ZINC06582357

 MMsINC code: MMs03808187
Type: Neutral
Formula: C12H12O2P2S4
SMILES:   S(SP(S)(=O)c1ccccc1)P(S)(=O)c1ccccc1
InChI:   InChI=1/C12H12O2P2S4/c13-15(17,11-7-3-1-4-8-11)19-20-16(14,18)12-9-5-2-6-10-12/h1-10H,(H,13,17)(H,14,18)/t15-,16+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.6373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.438 g/mol  logS: -6.78198  SlogP: 3.1242  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0359361  Sterimol/B1: 3.66633  Sterimol/B2: 4.1833  Sterimol/B3: 4.32102
  Sterimol/B4: 4.32341  Sterimol/L: 17.6047 
 
 Surface and Volume Properties
  Accessible surface: 556.422  Positive charged surface: 208.236  Negative charged surface: 348.186  Volume: 307.125
  Hydrophobic surface: 381.288  Hydrophilic surface: 175.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.