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PUBCHEM-ZINC03614899

 MMsINC code: MMs03022802
Type: Neutral
Formula: C9H21O2P
SMILES:   P(OC(C)C)(=O)(CCC)CCC
InChI:   InChI=1/C9H21O2P/c1-5-7-12(10,8-6-2)11-9(3)4/h9H,5-8H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.54276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.239 g/mol  logS: -1.0692  SlogP: 2.4393  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122979  Sterimol/B1: 2.46989  Sterimol/B2: 3.44228  Sterimol/B3: 3.56958
  Sterimol/B4: 7.47576  Sterimol/L: 12.4093 
 
 Surface and Volume Properties
  Accessible surface: 432.296  Positive charged surface: 311.176  Negative charged surface: 121.12  Volume: 209
  Hydrophobic surface: 324.972  Hydrophilic surface: 107.324
 
 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.