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PUBCHEM-ZINC02034394

 MMsINC code: MMs02860597
Type: Neutral
Formula: C7H17O3P
SMILES:   P(OC(C(C)(C)C)C)(O)(=O)C
InChI:   InChI=1/C7H17O3P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3,(H,8,9)/t6-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.91358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.184 g/mol  logS: -0.52593  SlogP: 1.1826  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.23281  Sterimol/B1: 2.25225  Sterimol/B2: 2.94628  Sterimol/B3: 3.83239
  Sterimol/B4: 5.91517  Sterimol/L: 10.8989 
 
 Surface and Volume Properties
  Accessible surface: 377.145  Positive charged surface: 242.208  Negative charged surface: 134.937  Volume: 178.5
  Hydrophobic surface: 212.087  Hydrophilic surface: 165.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.