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PUBCHEM-ZINC06891017

 MMsINC code: MMs03891766
Type: Neutral
Formula: C10H20N2O3
SMILES:   O(C(=O)C(NC(=O)NCCC)C(C)C)C
InChI:   InChI=1/C10H20N2O3/c1-5-6-11-10(14)12-8(7(2)3)9(13)15-4/h7-8H,5-6H2,1-4H3,(H2,11,12,14)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=15.5297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -1.27223  SlogP: 0.8932  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0426745  Sterimol/B1: 2.68464  Sterimol/B2: 3.23128  Sterimol/B3: 4.11564
  Sterimol/B4: 4.8523  Sterimol/L: 15.4547 
 
 Surface and Volume Properties
  Accessible surface: 461.494  Positive charged surface: 357.393  Negative charged surface: 104.101  Volume: 221.5
  Hydrophobic surface: 320.436  Hydrophilic surface: 141.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.