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ACROSORGANICS-ZINC00400095

 MMsINC code: MMs00007543
Type: Neutral
Formula: C6H15OP
SMILES:   P(=O)(CC)(CC)CC
InChI:   InChI=1/C6H15OP/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.19852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.159 g/mol  logS: -0.08389  SlogP: 1.339  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.230394  Sterimol/B1: 2.76857  Sterimol/B2: 3.17365  Sterimol/B3: 3.21755
  Sterimol/B4: 5.30857  Sterimol/L: 10.2214 
 
 Surface and Volume Properties
  Accessible surface: 329.092  Positive charged surface: 219.437  Negative charged surface: 109.656  Volume: 149.125
  Hydrophobic surface: 239.674  Hydrophilic surface: 89.418
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.