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IBS-ZINC02410462

 MMsINC code: MMs01855031
Type: Neutral
Formula: C11H22N2O5
SMILES:   O(C(OC)CNC(=O)NC(CC(C)C)C(O)=O)C
InChI:   InChI=1/C11H22N2O5/c1-7(2)5-8(10(14)15)13-11(16)12-6-9(17-3)18-4/h7-9H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=27.0036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.306 g/mol  logS: -1.3256  SlogP: 0.4038  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0864732  Sterimol/B1: 2.51474  Sterimol/B2: 2.51978  Sterimol/B3: 4.64769
  Sterimol/B4: 7.49124  Sterimol/L: 14.0903 
 
 Surface and Volume Properties
  Accessible surface: 527.293  Positive charged surface: 403.911  Negative charged surface: 123.382  Volume: 255.125
  Hydrophobic surface: 334.033  Hydrophilic surface: 193.26
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs01855032
IBS-ZINC02410462