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ALFAAESAR-ZINC01445005

 MMsINC code: MMs00021237
Type: Neutral
Formula: C5H13O2P
SMILES:   P(OCC)(OCC)C
InChI:   InChI=1/C5H13O2P/c1-4-6-8(3)7-5-2/h4-5H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.5925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 136.131 g/mol  logS: -0.41528  SlogP: 2.0011  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.066929  Sterimol/B1: 2.45261  Sterimol/B2: 2.54295  Sterimol/B3: 3.37841
  Sterimol/B4: 5.02088  Sterimol/L: 12.1058 
 
 Surface and Volume Properties
  Accessible surface: 351.447  Positive charged surface: 271.573  Negative charged surface: 79.8747  Volume: 142.375
  Hydrophobic surface: 290.714  Hydrophilic surface: 60.733
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.