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CHEMDIV-ZINC04706416

 MMsINC code: MMs00942917
Type: Neutral
Formula: C19H33N3O2
SMILES:   O=C1N(CC(C1)C(=O)NCCCN1CCCCC1C)C1CCCC1
InChI:   InChI=1/C19H33N3O2/c1-15-7-4-5-11-21(15)12-6-10-20-19(24)16-13-18(23)22(14-16)17-8-2-3-9-17/h15-17H,2-14H2,1H3,(H,20,24)/t15-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=22.9768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.492 g/mol  logS: -1.75387  SlogP: 2.1582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0470639  Sterimol/B1: 2.21964  Sterimol/B2: 3.75757  Sterimol/B3: 4.38392
  Sterimol/B4: 6.73029  Sterimol/L: 19.1278 
 
 Surface and Volume Properties
  Accessible surface: 635.669  Positive charged surface: 494.626  Negative charged surface: 141.043  Volume: 355.5
  Hydrophobic surface: 542.732  Hydrophilic surface: 92.937
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00942918
CHEMDIV-ZINC04706416