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ALFAAESAR-ZINC02560544

 MMsINC code: MMs00023757
Type: Neutral
Formula: C4H11O2P
SMILES:   P(OC)(OC)CC
InChI:   InChI=1/C4H11O2P/c1-4-7(5-2)6-3/h4H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.9915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.104 g/mol  logS: -0.08807  SlogP: 1.611  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.102633  Sterimol/B1: 2.40368  Sterimol/B2: 2.57073  Sterimol/B3: 3.17078
  Sterimol/B4: 5.46212  Sterimol/L: 9.41743 
 
 Surface and Volume Properties
  Accessible surface: 304.576  Positive charged surface: 262.03  Negative charged surface: 42.546  Volume: 123.625
  Hydrophobic surface: 262.03  Hydrophilic surface: 42.546
 
 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.