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NCID-ZINC01666655

 MMsINC code: MMs02302819
Type: Neutral
Formula: C6H15O3P
SMILES:   P(OCCC)(OCCC)O
InChI:   InChI=1/C6H15O3P/c1-3-5-8-10(7)9-6-4-2/h7H,3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.77522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.157 g/mol  logS: -0.7282  SlogP: 2.0588  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0382803  Sterimol/B1: 2.76183  Sterimol/B2: 2.76246  Sterimol/B3: 3.07025
  Sterimol/B4: 4.61327  Sterimol/L: 14.2082 
 
 Surface and Volume Properties
  Accessible surface: 404.544  Positive charged surface: 309.692  Negative charged surface: 94.8519  Volume: 165.625
  Hydrophobic surface: 276.499  Hydrophilic surface: 128.045
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.