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PUBCHEM-ZINC03132793

 MMsINC code: MMs02999256
Type: Neutral
Formula: C12H27OP
SMILES:   P(=O)(C(CCCCCC)C)(CC)CC
InChI:   InChI=1/C12H27OP/c1-5-8-9-10-11-12(4)14(13,6-2)7-3/h12H,5-11H2,1-4H3/t12-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.0526 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.321 g/mol  logS: -2.67375  SlogP: 3.678  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111348  Sterimol/B1: 3.02429  Sterimol/B2: 3.21239  Sterimol/B3: 4.37527
  Sterimol/B4: 6.19205  Sterimol/L: 14.7535 
 
 Surface and Volume Properties
  Accessible surface: 494.41  Positive charged surface: 363.511  Negative charged surface: 130.899  Volume: 252
  Hydrophobic surface: 393.883  Hydrophilic surface: 100.527
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.