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APOLLO-ZINC00161706

 MMsINC code: MMs00046350
Type: Neutral
Formula: C14H16P2S2
SMILES:   S=P(P(=S)(C)c1ccccc1)(C)c1ccccc1
InChI:   InChI=1/C14H16P2S2/c1-15(17,13-9-5-3-6-10-13)16(2,18)14-11-7-4-8-12-14/h3-12H,1-2H3/t15-,16-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.4059 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.362 g/mol  logS: -4.88018  SlogP: 3.771  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125221  Sterimol/B1: 2.37475  Sterimol/B2: 2.38721  Sterimol/B3: 5.35875
  Sterimol/B4: 6.1618  Sterimol/L: 15.1425 
 
 Surface and Volume Properties
  Accessible surface: 505.492  Positive charged surface: 241.085  Negative charged surface: 264.407  Volume: 289.875
  Hydrophobic surface: 381.6  Hydrophilic surface: 123.892
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.