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DSC-ZINC02572432

 MMsINC code: MMs01221763
Type: Neutral
Formula: C5H13O3P
SMILES:   P(OCC)(OCC)OC
InChI:   InChI=1/C5H13O3P/c1-4-7-9(6-3)8-5-2/h4-5H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.87919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.13 g/mol  logS: -0.66984  SlogP: 1.9327  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0682764  Sterimol/B1: 2.55368  Sterimol/B2: 3.15691  Sterimol/B3: 3.31776
  Sterimol/B4: 5.88739  Sterimol/L: 12.0072 
 
 Surface and Volume Properties
  Accessible surface: 380.42  Positive charged surface: 308.716  Negative charged surface: 71.704  Volume: 150.25
  Hydrophobic surface: 291.864  Hydrophilic surface: 88.556
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.