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PUBCHEM-ZINC06883753

 MMsINC code: MMs03887959
Type: Neutral
Formula: C15H26N2O5
SMILES:   O=C1N(CCN(C(OC(C)(C)C)=O)C1CC(C)C)CC(O)=O
InChI:   InChI=1/C15H26N2O5/c1-10(2)8-11-13(20)16(9-12(18)19)6-7-17(11)14(21)22-15(3,4)5/h10-11H,6-9H2,1-5H3,(H,18,19)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=148.701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.382 g/mol  logS: -2.48625  SlogP: 1.565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138413  Sterimol/B1: 2.52934  Sterimol/B2: 4.47015  Sterimol/B3: 5.02638
  Sterimol/B4: 5.89552  Sterimol/L: 14.7682 
 
 Surface and Volume Properties
  Accessible surface: 528.745  Positive charged surface: 384  Negative charged surface: 144.746  Volume: 298.875
  Hydrophobic surface: 332.824  Hydrophilic surface: 195.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03887960
PUBCHEM-ZINC06883753