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CHEMDIV-ZINC04708825

 MMsINC code: MMs00943053
Type: Neutral
Formula: C19H35N3O2
SMILES:   O=C1N(C(CC1)C(=O)NCCCN(CCCC)C)C1CCCCC1
InChI:   InChI=1/C19H35N3O2/c1-3-4-14-21(2)15-8-13-20-19(24)17-11-12-18(23)22(17)16-9-6-5-7-10-16/h16-17H,3-15H2,1-2H3,(H,20,24)/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=40.7759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.508 g/mol  logS: -2.67722  SlogP: 2.5483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0393353  Sterimol/B1: 3.05716  Sterimol/B2: 3.96687  Sterimol/B3: 4.43326
  Sterimol/B4: 5.48455  Sterimol/L: 21.1283 
 
 Surface and Volume Properties
  Accessible surface: 674.169  Positive charged surface: 545.808  Negative charged surface: 128.36  Volume: 364.75
  Hydrophobic surface: 594.833  Hydrophilic surface: 79.336
 
 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


MMs00943054
CHEMDIV-ZINC04708825