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DSC-ZINC02567608

 MMsINC code: MMs01221746
Type: Neutral
Formula: C8H19OP
SMILES:   P(=O)(CCCCCC)(C)C
InChI:   InChI=1/C8H19OP/c1-4-5-6-7-8-10(2,3)9/h4-8H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.57479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.213 g/mol  logS: -1.1769  SlogP: 2.1192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0600003  Sterimol/B1: 3.02693  Sterimol/B2: 3.46273  Sterimol/B3: 3.59588
  Sterimol/B4: 3.78044  Sterimol/L: 13.9515 
 
 Surface and Volume Properties
  Accessible surface: 409.613  Positive charged surface: 296.158  Negative charged surface: 113.455  Volume: 183.75
  Hydrophobic surface: 314.631  Hydrophilic surface: 94.982
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.