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NCID-ZINC01576306

 MMsINC code: MMs02234890
Type: Neutral
Formula: C11H20N2O5
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)NC(C(O)=O)C)C
InChI:   InChI=1/C11H20N2O5/c1-6(8(14)12-7(2)9(15)16)13-10(17)18-11(3,4)5/h6-7H,1-5H3,(H,12,14)(H,13,17)(H,15,16)/t6-,7+/m1/s1

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Potential Energy
Epot(MMFF94)=35.3259 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.29 g/mol  logS: -1.64439  SlogP: 0.4889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0750024  Sterimol/B1: 1.969  Sterimol/B2: 3.44424  Sterimol/B3: 3.89798
  Sterimol/B4: 5.71111  Sterimol/L: 16.0785 
 
 Surface and Volume Properties
  Accessible surface: 506.33  Positive charged surface: 333.522  Negative charged surface: 172.808  Volume: 246.5
  Hydrophobic surface: 250.062  Hydrophilic surface: 256.268
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02234891
NCID-ZINC01576306