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ASINEX-ZINC00105455

 MMsINC code: MMs00075825
Type: Neutral
Formula: C16H30N2O
SMILES:   O=C(N1CCN(CC1)C1CCC(CC1)C)CC(C)C
InChI:   InChI=1/C16H30N2O/c1-13(2)12-16(19)18-10-8-17(9-11-18)15-6-4-14(3)5-7-15/h13-15H,4-12H2,1-3H3/t14-,15-

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Potential Energy
Epot(MMFF94)=57.6018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.429 g/mol  logS: -2.92978  SlogP: 2.7554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0924693  Sterimol/B1: 2.47235  Sterimol/B2: 3.19763  Sterimol/B3: 4.05561
  Sterimol/B4: 6.05766  Sterimol/L: 16.4657 
 
 Surface and Volume Properties
  Accessible surface: 536.541  Positive charged surface: 436.786  Negative charged surface: 99.7547  Volume: 293.875
  Hydrophobic surface: 451.042  Hydrophilic surface: 85.499
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00075826
ASINEX-ZINC00105455