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PUBCHEM-ZINC05962733

 MMsINC code: MMs03463002
Type: Neutral
Formula: C11H21N3O4
SMILES:   O(C(=O)CNC(=O)CNC(=O)C(N)CC(C)C)C
InChI:   InChI=1/C11H21N3O4/c1-7(2)4-8(12)11(17)14-5-9(15)13-6-10(16)18-3/h7-8H,4-6,12H2,1-3H3,(H,13,15)(H,14,17)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=59.1098 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.306 g/mol  logS: -1.59463  SlogP: -1.2348  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0384098  Sterimol/B1: 2.33561  Sterimol/B2: 2.36245  Sterimol/B3: 4.64316
  Sterimol/B4: 5.68332  Sterimol/L: 18.0015 
 
 Surface and Volume Properties
  Accessible surface: 535.326  Positive charged surface: 395.087  Negative charged surface: 140.239  Volume: 254
  Hydrophobic surface: 297.355  Hydrophilic surface: 237.971
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03463003
PUBCHEM-ZINC05962733