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IBS-ZINC02406053

 MMsINC code: MMs01853599
Type: Neutral
Formula: C11H22N2O3
SMILES:   O(C(=O)C(NC(=O)NCC(C)C)C(C)C)C
InChI:   InChI=1/C11H22N2O3/c1-7(2)6-12-11(15)13-9(8(3)4)10(14)16-5/h7-9H,6H2,1-5H3,(H2,12,13,15)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=20.7498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.308 g/mol  logS: -1.474  SlogP: 1.1392  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0403192  Sterimol/B1: 2.77066  Sterimol/B2: 3.15467  Sterimol/B3: 4.20986
  Sterimol/B4: 5.01524  Sterimol/L: 15.3363 
 
 Surface and Volume Properties
  Accessible surface: 486.222  Positive charged surface: 368.638  Negative charged surface: 117.585  Volume: 238.625
  Hydrophobic surface: 329.16  Hydrophilic surface: 157.062
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.