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PUBCHEM-ZINC05907350

 MMsINC code: MMs03439209
Type: Neutral
Formula: C13H24N2O4
SMILES:   O1C(CN(CC1C)C(=O)NC(C(CC)C)C(O)=O)C
InChI:   InChI=1/C13H24N2O4/c1-5-8(2)11(12(16)17)14-13(18)15-6-9(3)19-10(4)7-15/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17)/t8-,9-,10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=43.4524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.345 g/mol  logS: -1.68605  SlogP: 1.3045  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162145  Sterimol/B1: 3.20873  Sterimol/B2: 3.23347  Sterimol/B3: 4.54536
  Sterimol/B4: 6.71806  Sterimol/L: 13.181 
 
 Surface and Volume Properties
  Accessible surface: 507.527  Positive charged surface: 356.205  Negative charged surface: 151.321  Volume: 270.75
  Hydrophobic surface: 312.779  Hydrophilic surface: 194.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03439210
PUBCHEM-ZINC05907350