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IBS-ZINC02414232

 MMsINC code: MMs01856259
Type: Neutral
Formula: C10H20N2O3
SMILES:   OC(=O)C(NC(=O)NCC(C)C)C(C)C
InChI:   InChI=1/C10H20N2O3/c1-6(2)5-11-10(15)12-8(7(3)4)9(13)14/h6-8H,5H2,1-4H3,(H,13,14)(H2,11,12,15)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=11.9038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -1.06167  SlogP: 1.0508  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0757504  Sterimol/B1: 1.97601  Sterimol/B2: 4.2677  Sterimol/B3: 4.39945
  Sterimol/B4: 4.7419  Sterimol/L: 13.7781 
 
 Surface and Volume Properties
  Accessible surface: 448.719  Positive charged surface: 319.958  Negative charged surface: 128.761  Volume: 218.375
  Hydrophobic surface: 244.737  Hydrophilic surface: 203.982
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs01856260
IBS-ZINC02414232