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SIAL-ZINC04556760

 MMsINC code: MMs03922761
Type: Neutral
Formula: C13H26N2O3
SMILES:   O(C(=O)C(NC(=O)C(N)CC(C)C)CC(C)C)C
InChI:   InChI=1/C13H26N2O3/c1-8(2)6-10(14)12(16)15-11(7-9(3)4)13(17)18-5/h8-11H,6-7,14H2,1-5H3,(H,15,16)/t10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=71.3487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.362 g/mol  logS: -2.98148  SlogP: 1.0637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148097  Sterimol/B1: 3.15624  Sterimol/B2: 3.43183  Sterimol/B3: 4.68276
  Sterimol/B4: 7.26178  Sterimol/L: 14.5382 
 
 Surface and Volume Properties
  Accessible surface: 525.301  Positive charged surface: 392.821  Negative charged surface: 132.48  Volume: 273.125
  Hydrophobic surface: 339.13  Hydrophilic surface: 186.171
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03922762
SIAL-ZINC04556760