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ASINEX-ZINC00260588

 MMsINC code: MMs00101747
Type: Neutral
Formula: C17H30N2O3
SMILES:   O(CC(C)C)C(=O)N1CCCC1C(=O)NC1CCCCCC1
InChI:   InChI=1/C17H30N2O3/c1-13(2)12-22-17(21)19-11-7-10-15(19)16(20)18-14-8-5-3-4-6-9-14/h13-15H,3-12H2,1-2H3,(H,18,20)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=43.8405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.438 g/mol  logS: -3.176  SlogP: 3.0824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0920801  Sterimol/B1: 2.51369  Sterimol/B2: 3.50164  Sterimol/B3: 5.38206
  Sterimol/B4: 7.38393  Sterimol/L: 16.4305 
 
 Surface and Volume Properties
  Accessible surface: 609.778  Positive charged surface: 469.432  Negative charged surface: 140.346  Volume: 325.5
  Hydrophobic surface: 509.61  Hydrophilic surface: 100.168
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.