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IBS-ZINC00551259

 MMsINC code: MMs01754169
Type: Neutral
Formula: C15H26N2O3
SMILES:   O(C(=O)C1(NC(=O)NC2CCCCC2)CCCCC1)C
InChI:   InChI=1/C15H26N2O3/c1-20-13(18)15(10-6-3-7-11-15)17-14(19)16-12-8-4-2-5-9-12/h12H,2-11H2,1H3,(H2,16,17,19)

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Potential Energy
Epot(MMFF94)=30.4918 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.384 g/mol  logS: -2.95478  SlogP: 2.4942  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.123818  Sterimol/B1: 1.969  Sterimol/B2: 3.06793  Sterimol/B3: 4.03728
  Sterimol/B4: 8.73324  Sterimol/L: 13.8025 
 
 Surface and Volume Properties
  Accessible surface: 534.339  Positive charged surface: 434.507  Negative charged surface: 99.8322  Volume: 284.875
  Hydrophobic surface: 475.445  Hydrophilic surface: 58.894
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.