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PUBCHEM-ZINC06020275

 MMsINC code: MMs03495331
Type: Neutral
Formula: C8H19O2P
SMILES:   P(OC(C(C)(C)C)C)(=O)(C)C
InChI:   InChI=1/C8H19O2P/c1-7(8(2,3)4)10-11(5,6)9/h7H,1-6H3/t7-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.212 g/mol  logS: -0.61655  SlogP: 1.9051  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.24641  Sterimol/B1: 2.16542  Sterimol/B2: 2.81091  Sterimol/B3: 4.31304
  Sterimol/B4: 5.86012  Sterimol/L: 10.8162 
 
 Surface and Volume Properties
  Accessible surface: 380.952  Positive charged surface: 245.122  Negative charged surface: 135.83  Volume: 191.5
  Hydrophobic surface: 244.995  Hydrophilic surface: 135.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.