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NCID-ZINC05064321

 MMsINC code: MMs02435711
Type: Neutral
Formula: C8H17O3P
SMILES:   P1(OCC(CO1)C(C)(C)C)(=O)C
InChI:   InChI=1/C8H17O3P/c1-8(2,3)7-5-10-12(4,9)11-6-7/h7H,5-6H2,1-4H3/t7-,12-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.195 g/mol  logS: -1.70942  SlogP: 1.4482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.219303  Sterimol/B1: 1.97331  Sterimol/B2: 3.60766  Sterimol/B3: 3.64413
  Sterimol/B4: 5.41466  Sterimol/L: 10.696 
 
 Surface and Volume Properties
  Accessible surface: 372.552  Positive charged surface: 233.039  Negative charged surface: 139.513  Volume: 184.5
  Hydrophobic surface: 229.53  Hydrophilic surface: 143.022
 
 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.