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IBS-ZINC02405444

 MMsINC code: MMs01853361
Type: Neutral
Formula: C11H22N2O4
SMILES:   O(CCCC)CCCNC(=O)NC(C(O)=O)C
InChI:   InChI=1/C11H22N2O4/c1-3-4-7-17-8-5-6-12-11(16)13-9(2)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)(H2,12,13,16)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=-9.48504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.307 g/mol  logS: -1.31599  SlogP: 0.9655  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0216195  Sterimol/B1: 3.01507  Sterimol/B2: 3.24617  Sterimol/B3: 3.34134
  Sterimol/B4: 3.92358  Sterimol/L: 20.0134 
 
 Surface and Volume Properties
  Accessible surface: 544.883  Positive charged surface: 413.015  Negative charged surface: 131.868  Volume: 248.875
  Hydrophobic surface: 340.686  Hydrophilic surface: 204.197
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs01853362
IBS-ZINC02405444