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IBS-ZINC02193984

 MMsINC code: MMs01798225
Type: Neutral
Formula: C15H26N2O3
SMILES:   OC(=O)C1CCCCC1C(=O)N(C)C1CCN(CC1)C
InChI:   InChI=1/C15H26N2O3/c1-16-9-7-11(8-10-16)17(2)14(18)12-5-3-4-6-13(12)15(19)20/h11-13H,3-10H2,1-2H3,(H,19,20)/t12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=42.7948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.384 g/mol  logS: -1.19901  SlogP: 1.43  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169093  Sterimol/B1: 2.62187  Sterimol/B2: 4.15561  Sterimol/B3: 4.91493
  Sterimol/B4: 5.47816  Sterimol/L: 13.7027 
 
 Surface and Volume Properties
  Accessible surface: 497.313  Positive charged surface: 411.844  Negative charged surface: 85.4697  Volume: 282.875
  Hydrophobic surface: 404.353  Hydrophilic surface: 92.96
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.