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NCID-ZINC01675906

 MMsINC code: MMs02311192
Type: Neutral
Formula: C7H17O4P
SMILES:   P(OCC)(OCC)(=O)C(O)(C)C
InChI:   InChI=1/C7H17O4P/c1-5-10-12(9,11-6-2)7(3,4)8/h8H,5-6H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.3309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.183 g/mol  logS: -0.77364  SlogP: 0.9107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.203068  Sterimol/B1: 2.43579  Sterimol/B2: 3.04304  Sterimol/B3: 4.21699
  Sterimol/B4: 7.68697  Sterimol/L: 10.9645 
 
 Surface and Volume Properties
  Accessible surface: 414.174  Positive charged surface: 285.445  Negative charged surface: 128.729  Volume: 189
  Hydrophobic surface: 264.1  Hydrophilic surface: 150.074
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.