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DSC-ZINC04352576

 MMsINC code: MMs01221796
Type: Neutral
Formula: C4H9O2P
SMILES:   P1(OCCC1)(=O)C
InChI:   InChI=1/C4H9O2P/c1-7(5)4-2-3-6-7/h2-4H2,1H3/t7-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.8034 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 120.088 g/mol  logS: 0.29257  SlogP: 0.2444  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.243642  Sterimol/B1: 2.61313  Sterimol/B2: 3.15913  Sterimol/B3: 3.51752
  Sterimol/B4: 4.10695  Sterimol/L: 8.35243 
 
 Surface and Volume Properties
  Accessible surface: 283.004  Positive charged surface: 189.223  Negative charged surface: 93.7811  Volume: 110.625
  Hydrophobic surface: 208.775  Hydrophilic surface: 74.229
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.