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PUBCHEM-ZINC01854932

 MMsINC code: MMs02827826
Type: Neutral
Formula: C19H33N3O2
SMILES:   O=C1N(CCN(C)C)C(=O)NC1(C1CCCCC1)C1CCCCC1
InChI:   InChI=1/C19H33N3O2/c1-21(2)13-14-22-17(23)19(20-18(22)24,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h15-16H,3-14H2,1-2H3,(H,20,24)

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Potential Energy
Epot(MMFF94)=38.4422 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.492 g/mol  logS: -4.28112  SlogP: 2.9992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130334  Sterimol/B1: 2.5188  Sterimol/B2: 5.6009  Sterimol/B3: 6.0444
  Sterimol/B4: 6.45328  Sterimol/L: 14.2665 
 
 Surface and Volume Properties
  Accessible surface: 583.617  Positive charged surface: 469.078  Negative charged surface: 114.54  Volume: 347.5
  Hydrophobic surface: 516.813  Hydrophilic surface: 66.804
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs02827827
PUBCHEM-ZINC01854932