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ALFAAESAR-ZINC00156180

 MMsINC code: MMs00020052
Type: Neutral
Formula: C12H19O2P
SMILES:   P(OC(C)C)(OC(C)C)c1ccccc1
InChI:   InChI=1/C12H19O2P/c1-10(2)13-15(14-11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.256 g/mol  logS: -2.89356  SlogP: 3.4738  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.193417  Sterimol/B1: 2.114  Sterimol/B2: 3.10355  Sterimol/B3: 3.94409
  Sterimol/B4: 8.3453  Sterimol/L: 12.2652 
 
 Surface and Volume Properties
  Accessible surface: 467.414  Positive charged surface: 315.8  Negative charged surface: 151.614  Volume: 240.375
  Hydrophobic surface: 384.531  Hydrophilic surface: 82.883
 
 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.