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PUBCHEM-ZINC01841886

 MMsINC code: MMs02821957
Type: Neutral
Formula: C11H26NO3P
SMILES:   P(OCCN(C(C)C)C(C)C)(OCC)(=O)C
InChI:   InChI=1/C11H26NO3P/c1-7-14-16(6,13)15-9-8-12(10(2)3)11(4)5/h10-11H,7-9H2,1-6H3/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.0269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.307 g/mol  logS: -1.14532  SlogP: 1.911  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128356  Sterimol/B1: 2.46641  Sterimol/B2: 3.21447  Sterimol/B3: 3.99802
  Sterimol/B4: 6.6661  Sterimol/L: 14.1207 
 
 Surface and Volume Properties
  Accessible surface: 486.226  Positive charged surface: 347.904  Negative charged surface: 138.323  Volume: 258
  Hydrophobic surface: 346.47  Hydrophilic surface: 139.756
 
 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


MMs02821958
PUBCHEM-ZINC01841886