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PUBCHEM-ZINC05859963

 MMsINC code: MMs03421616
Type: Neutral
Formula: C15H26NO3P
SMILES:   P(OCC)(OCC)(=O)C(CCN(C)C)c1ccccc1
InChI:   InChI=1/C15H26NO3P/c1-5-18-20(17,19-6-2)15(12-13-16(3)4)14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.0123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.351 g/mol  logS: -2.13336  SlogP: 2.9708  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117115  Sterimol/B1: 2.47303  Sterimol/B2: 3.61057  Sterimol/B3: 3.84559
  Sterimol/B4: 8.76339  Sterimol/L: 13.0543 
 
 Surface and Volume Properties
  Accessible surface: 563.18  Positive charged surface: 422.756  Negative charged surface: 140.424  Volume: 307.125
  Hydrophobic surface: 493.273  Hydrophilic surface: 69.907
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs03421617
PUBCHEM-ZINC05859963