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ACROSORGANICS-ZINC01641068

 MMsINC code: MMs00010087
Type: Neutral
Formula: C4H11O3P
SMILES:   [PH](OCC)(OCC)=O
InChI:   InChI=1/C4H11O3P/c1-3-6-8(5)7-4-2/h8H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.19829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.103 g/mol  logS: -0.87713  SlogP: 0.3789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0556458  Sterimol/B1: 2.27422  Sterimol/B2: 2.53906  Sterimol/B3: 3.05822
  Sterimol/B4: 4.25457  Sterimol/L: 12.2681 
 
 Surface and Volume Properties
  Accessible surface: 340.285  Positive charged surface: 220.412  Negative charged surface: 119.873  Volume: 130
  Hydrophobic surface: 235.294  Hydrophilic surface: 104.991
 
 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.