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DSC-ZINC02584664

 MMsINC code: MMs01221771
Type: Neutral
Formula: C6H15OP
SMILES:   [PH](=O)(CCC)CCC
InChI:   InChI=1/C6H15OP/c1-3-5-8(7)6-4-2/h8H,3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-0.444918 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.159 g/mol  logS: -0.77155  SlogP: 1.2959  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0611582  Sterimol/B1: 2.12883  Sterimol/B2: 2.49609  Sterimol/B3: 2.98807
  Sterimol/B4: 3.73565  Sterimol/L: 12.7243 
 
 Surface and Volume Properties
  Accessible surface: 353.084  Positive charged surface: 237.895  Negative charged surface: 115.188  Volume: 148.875
  Hydrophobic surface: 276.317  Hydrophilic surface: 76.767
 
 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.