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DSC-ZINC04352556

 MMsINC code: MMs01221781
Type: Neutral
Formula: C10H25O5P
SMILES:   P(OCC)(OCC)(OCC)(OCC)OCC
InChI:   InChI=1/C10H25O5P/c1-6-11-16(12-7-2,13-8-3,14-9-4)15-10-5/h6-10H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=190.022 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.279 g/mol  logS: -1.89983  SlogP: 3.2972  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.562193  Sterimol/B1: 2.35778  Sterimol/B2: 2.51293  Sterimol/B3: 7.56025
  Sterimol/B4: 8.16187  Sterimol/L: 10.6358 
 
 Surface and Volume Properties
  Accessible surface: 522.473  Positive charged surface: 390.613  Negative charged surface: 131.86  Volume: 258.375
  Hydrophobic surface: 390.613  Hydrophilic surface: 131.86
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.