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NCID-ZINC01726636

 MMsINC code: MMs02350348
Type: Ionized
Formula: C5H10O4P-
SMILES:   P1(OCC(CO1)(C)C)(=O)[O-]
InChI:   InChI=1/C5H11O4P/c1-5(2)3-8-10(6,7)9-4-5/h3-4H2,1-2H3,(H,6,7)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-12.4529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.105 g/mol  logS: -0.34643  SlogP: -0.5424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.394222  Sterimol/B1: 2.55623  Sterimol/B2: 3.64781  Sterimol/B3: 3.64848
  Sterimol/B4: 4.4653  Sterimol/L: 9.41088 
 
 Surface and Volume Properties
  Accessible surface: 309.392  Positive charged surface: 179.127  Negative charged surface: 130.264  Volume: 136.375
  Hydrophobic surface: 167.183  Hydrophilic surface: 142.209
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs02350347
NCID-ZINC01726636