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CHEMDIV-ZINC02964886

 MMsINC code: MMs00899144
Type: Neutral
Formula: C19H33N3O2
SMILES:   O=C1N(C(CC1)C(=O)NCCCN1CCCCCC1)C1CCCC1
InChI:   InChI=1/C19H33N3O2/c23-18-11-10-17(22(18)16-8-3-4-9-16)19(24)20-12-7-15-21-13-5-1-2-6-14-21/h16-17H,1-15H2,(H,20,24)/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=61.6281 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.492 g/mol  logS: -2.07372  SlogP: 2.3023  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0503452  Sterimol/B1: 3.45746  Sterimol/B2: 4.17841  Sterimol/B3: 4.30883
  Sterimol/B4: 5.17789  Sterimol/L: 18.863 
 
 Surface and Volume Properties
  Accessible surface: 633.973  Positive charged surface: 518.731  Negative charged surface: 115.242  Volume: 351.125
  Hydrophobic surface: 584.156  Hydrophilic surface: 49.817
 
 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


MMs00899145
CHEMDIV-ZINC02964886