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BACHEM-ZINC02560750

 MMsINC code: MMs00483872
Type: Neutral
Formula: C11H22N2O5
SMILES:   O(C(C)(C)C)C(=O)NCC(O)CCC(N)C(O)=O
InChI:   InChI=1/C11H22N2O5/c1-11(2,3)18-10(17)13-6-7(14)4-5-8(12)9(15)16/h7-8,14H,4-6,12H2,1-3H3,(H,13,17)(H,15,16)/t7-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=37.8038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.306 g/mol  logS: -0.70976  SlogP: 0.0641  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0446698  Sterimol/B1: 2.40869  Sterimol/B2: 3.02002  Sterimol/B3: 3.82193
  Sterimol/B4: 4.989  Sterimol/L: 17.1385 
 
 Surface and Volume Properties
  Accessible surface: 523.758  Positive charged surface: 366.277  Negative charged surface: 157.481  Volume: 252.125
  Hydrophobic surface: 239.698  Hydrophilic surface: 284.06
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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: no related molecules available.