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ASINEX-ZINC02906300

 MMsINC code: MMs00280893
Type: Neutral
Formula: C15H28N2O3
SMILES:   O1CCCC1CNC(=O)C(=O)NCC(CCCC)CC
InChI:   InChI=1/C15H28N2O3/c1-3-5-7-12(4-2)10-16-14(18)15(19)17-11-13-8-6-9-20-13/h12-13H,3-11H2,1-2H3,(H,16,18)(H,17,19)/t12-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=46.808 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.4 g/mol  logS: -3.42233  SlogP: 1.6142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0347777  Sterimol/B1: 2.18649  Sterimol/B2: 2.84484  Sterimol/B3: 4.26367
  Sterimol/B4: 8.67614  Sterimol/L: 18.6878 
 
 Surface and Volume Properties
  Accessible surface: 609.126  Positive charged surface: 466.586  Negative charged surface: 142.54  Volume: 301.125
  Hydrophobic surface: 456.296  Hydrophilic surface: 152.83
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.