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PUBCHEM-ZINC02941065

 MMsINC code: MMs02963619
Type: Neutral
Formula: C19H33N3O2
SMILES:   O=C1N(CC(C1)C(=O)NCCCN1CCCCC1)C1CCCCC1
InChI:   InChI=1/C19H33N3O2/c23-18-14-16(15-22(18)17-8-3-1-4-9-17)19(24)20-10-7-13-21-11-5-2-6-12-21/h16-17H,1-15H2,(H,20,24)/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=12.9834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.492 g/mol  logS: -1.94188  SlogP: 2.1598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0284878  Sterimol/B1: 3.29315  Sterimol/B2: 3.77365  Sterimol/B3: 3.87748
  Sterimol/B4: 3.99749  Sterimol/L: 21.3591 
 
 Surface and Volume Properties
  Accessible surface: 646.974  Positive charged surface: 530.27  Negative charged surface: 116.705  Volume: 353.875
  Hydrophobic surface: 575.887  Hydrophilic surface: 71.087
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs02963620
PUBCHEM-ZINC02941065