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DSC-ZINC02381455

 MMsINC code: MMs01221688
Type: Neutral
Formula: C6H15O2P
SMILES:   P(OCC(C)C)(=O)(C)C
InChI:   InChI=1/C6H15O2P/c1-6(2)5-8-9(3,4)7/h6H,5H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.55389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.158 g/mol  logS: -0.08757  SlogP: 1.1265  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17004  Sterimol/B1: 2.16955  Sterimol/B2: 2.50146  Sterimol/B3: 4.58984
  Sterimol/B4: 4.7765  Sterimol/L: 11.2189 
 
 Surface and Volume Properties
  Accessible surface: 364.425  Positive charged surface: 247.948  Negative charged surface: 116.477  Volume: 157.75
  Hydrophobic surface: 247.367  Hydrophilic surface: 117.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.