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ASINEX-ZINC02026003

 MMsINC code: MMs00260778
Type: Neutral
Formula: C11H20N2O3
SMILES:   OC(CNC(=O)C(=O)NC1CCCCC1)C
InChI:   InChI=1/C11H20N2O3/c1-8(14)7-12-10(15)11(16)13-9-5-3-2-4-6-9/h8-9,14H,2-7H2,1H3,(H,12,15)(H,13,16)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=33.3889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.53149  SlogP: -0.0677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0446807  Sterimol/B1: 2.76695  Sterimol/B2: 3.64899  Sterimol/B3: 3.7954
  Sterimol/B4: 3.88026  Sterimol/L: 16.2298 
 
 Surface and Volume Properties
  Accessible surface: 480.121  Positive charged surface: 354.369  Negative charged surface: 125.752  Volume: 226.375
  Hydrophobic surface: 316.25  Hydrophilic surface: 163.871
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.