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NCID-ZINC01724274

 MMsINC code: MMs02348291
Type: Neutral
Formula: C6H15O3P
SMILES:   [PH](OCCC)(OCCC)=O
InChI:   InChI=1/C6H15O3P/c1-3-5-8-10(7)9-6-4-2/h10H,3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.11446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.157 g/mol  logS: -1.28067  SlogP: 1.1591  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0357899  Sterimol/B1: 2.67086  Sterimol/B2: 2.80732  Sterimol/B3: 2.94246
  Sterimol/B4: 3.72216  Sterimol/L: 14.5135 
 
 Surface and Volume Properties
  Accessible surface: 403.027  Positive charged surface: 271.293  Negative charged surface: 131.734  Volume: 162.875
  Hydrophobic surface: 299.728  Hydrophilic surface: 103.299
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.