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PUBCHEM-ZINC04598845

 MMsINC code: MMs03139668
Type: Neutral
Formula: C17H30N2O3
SMILES:   O1CCCC1CNC(=O)CCC(=O)NC1CCCC(C)C1C
InChI:   InChI=1/C17H30N2O3/c1-12-5-3-7-15(13(12)2)19-17(21)9-8-16(20)18-11-14-6-4-10-22-14/h12-15H,3-11H2,1-2H3,(H,18,20)(H,19,21)/t12-,13+,14-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=35.3634 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.438 g/mol  logS: -2.58267  SlogP: 2.0027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0474613  Sterimol/B1: 2.50452  Sterimol/B2: 3.08528  Sterimol/B3: 4.83067
  Sterimol/B4: 5.74142  Sterimol/L: 19.4698 
 
 Surface and Volume Properties
  Accessible surface: 610.872  Positive charged surface: 474.338  Negative charged surface: 136.534  Volume: 324.125
  Hydrophobic surface: 485.911  Hydrophilic surface: 124.961
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.