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ASINEX-ZINC01359181

 MMsINC code: MMs00245449
Type: Neutral
Formula: C19H33N3O2
SMILES:   O=C(NCC1CCCCC1)C1N(CCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C19H33N3O2/c23-18(20-14-15-8-3-1-4-9-15)17-12-7-13-22(17)19(24)21-16-10-5-2-6-11-16/h15-17H,1-14H2,(H,20,23)(H,21,24)/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=28.5035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.492 g/mol  logS: -3.8688  SlogP: 3.1896  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0678569  Sterimol/B1: 3.08025  Sterimol/B2: 3.36019  Sterimol/B3: 4.51834
  Sterimol/B4: 8.57978  Sterimol/L: 17.1892 
 
 Surface and Volume Properties
  Accessible surface: 644.914  Positive charged surface: 524.725  Negative charged surface: 120.188  Volume: 351.125
  Hydrophobic surface: 595.471  Hydrophilic surface: 49.443
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.