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NCID-ZINC01586093

 MMsINC code: MMs02242304
Type: Neutral
Formula: C11H25N2O4P
SMILES:   P(O)(O)(=O)C(NC(=O)C(N)CC(C)C)CC(C)C
InChI:   InChI=1/C11H25N2O4P/c1-7(2)5-9(12)11(14)13-10(6-8(3)4)18(15,16)17/h7-10H,5-6,12H2,1-4H3,(H,13,14)(H2,15,16,17)/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=16.0349 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.305 g/mol  logS: -1.78452  SlogP: -0.0443  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152051  Sterimol/B1: 3.30197  Sterimol/B2: 3.9343  Sterimol/B3: 4.18959
  Sterimol/B4: 7.06632  Sterimol/L: 13.2216 
 
 Surface and Volume Properties
  Accessible surface: 518.789  Positive charged surface: 339.836  Negative charged surface: 178.953  Volume: 270.875
  Hydrophobic surface: 240.557  Hydrophilic surface: 278.232
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02242305
NCID-ZINC01586093