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PUBCHEM-ZINC03205186

 MMsINC code: MMs03007730
Type: Neutral
Formula: C8H17O3P
SMILES:   P(=O)(CCC)(CCC)CC(O)=O
InChI:   InChI=1/C8H17O3P/c1-3-5-12(11,6-4-2)7-8(9)10/h3-7H2,1-2H3,(H,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-6.2348 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.195 g/mol  logS: -0.15606  SlogP: 1.1839  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142974  Sterimol/B1: 2.05942  Sterimol/B2: 2.94081  Sterimol/B3: 3.57906
  Sterimol/B4: 7.60615  Sterimol/L: 11.8351 
 
 Surface and Volume Properties
  Accessible surface: 403.366  Positive charged surface: 263.023  Negative charged surface: 140.343  Volume: 191.75
  Hydrophobic surface: 244.765  Hydrophilic surface: 158.601
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03007731
PUBCHEM-ZINC03205186