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DSC-ZINC04352575

 MMsINC code: MMs01221795
Type: Neutral
Formula: C4H11O2P
SMILES:   P(OCC)(=O)(C)C
InChI:   InChI=1/C4H11O2P/c1-4-6-7(2,3)5/h4H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.72844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.104 g/mol  logS: 0.31597  SlogP: 0.4904  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137681  Sterimol/B1: 2.57043  Sterimol/B2: 3.39146  Sterimol/B3: 4.01757
  Sterimol/B4: 4.18107  Sterimol/L: 9.93895 
 
 Surface and Volume Properties
  Accessible surface: 312.774  Positive charged surface: 210.342  Negative charged surface: 102.432  Volume: 121.25
  Hydrophobic surface: 209.457  Hydrophilic surface: 103.317
 
 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.