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PUBCHEM-ZINC03874325

 MMsINC code: MMs03082270
Type: Neutral
Formula: C15H28N2O5
SMILES:   OC(CC(O)=O)C(=O)NC(CC(C)C)C(=O)NCCC(C)C
InChI:   InChI=1/C15H28N2O5/c1-9(2)5-6-16-14(21)11(7-10(3)4)17-15(22)12(18)8-13(19)20/h9-12,18H,5-8H2,1-4H3,(H,16,21)(H,17,22)(H,19,20)/t11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=53.774 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.398 g/mol  logS: -2.72974  SlogP: 0.5152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0726508  Sterimol/B1: 3.20955  Sterimol/B2: 4.38766  Sterimol/B3: 4.72349
  Sterimol/B4: 5.07918  Sterimol/L: 17.5171 
 
 Surface and Volume Properties
  Accessible surface: 603.705  Positive charged surface: 419.81  Negative charged surface: 183.895  Volume: 312.25
  Hydrophobic surface: 326.431  Hydrophilic surface: 277.274
 
 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


MMs03082271
PUBCHEM-ZINC03874325