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NCID-ZINC05440165

 MMsINC code: MMs02463166
Type: Neutral
Formula: C7H15O3P
SMILES:   P1(OCC(CO1)CC)OCC
InChI:   InChI=1/C7H15O3P/c1-3-7-5-9-11(8-4-2)10-6-7/h7H,3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.168 g/mol  logS: -1.41023  SlogP: 2.3228  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0748877  Sterimol/B1: 2.18747  Sterimol/B2: 2.48798  Sterimol/B3: 3.73053
  Sterimol/B4: 4.90545  Sterimol/L: 13.4135 
 
 Surface and Volume Properties
  Accessible surface: 393.329  Positive charged surface: 312.651  Negative charged surface: 80.6776  Volume: 172.375
  Hydrophobic surface: 294.07  Hydrophilic surface: 99.259
 
 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.