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PUBCHEM-ZINC05922407

 MMsINC code: MMs03444541
Type: Neutral
Formula: C10H21O4PS
SMILES:   S=P(OC(CC)C)(OCCOC(=O)CC)C
InChI:   InChI=1/C10H21O4PS/c1-5-9(3)14-15(4,16)13-8-7-12-10(11)6-2/h9H,5-8H2,1-4H3/t9-,15-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.2964 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.314 g/mol  logS: -2.33815  SlogP: 2.7106  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.103167  Sterimol/B1: 2.4749  Sterimol/B2: 2.85111  Sterimol/B3: 5.69842
  Sterimol/B4: 6.46767  Sterimol/L: 14.6829 
 
 Surface and Volume Properties
  Accessible surface: 528.701  Positive charged surface: 354.54  Negative charged surface: 174.161  Volume: 254.75
  Hydrophobic surface: 354.15  Hydrophilic surface: 174.551
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.