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PUBCHEM-ZINC03651332

 MMsINC code: MMs03034124
Type: Neutral
Formula: C10H18N2O5
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)NCC(O)=O)C
InChI:   InChI=1/C10H18N2O5/c1-6(8(15)11-5-7(13)14)12-9(16)17-10(2,3)4/h6H,5H2,1-4H3,(H,11,15)(H,12,16)(H,13,14)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=31.46 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.263 g/mol  logS: -1.31718  SlogP: 0.1004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0572906  Sterimol/B1: 2.0719  Sterimol/B2: 2.81842  Sterimol/B3: 3.95354
  Sterimol/B4: 5.36077  Sterimol/L: 16.4283 
 
 Surface and Volume Properties
  Accessible surface: 485.546  Positive charged surface: 322.275  Negative charged surface: 163.271  Volume: 231.625
  Hydrophobic surface: 226.061  Hydrophilic surface: 259.485
 
 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


MMs03034125
PUBCHEM-ZINC03651332