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PUBCHEM-ZINC01530457

 MMsINC code: MMs02813338
Type: Neutral
Formula: C19H24N2O3
SMILES:   O1CC(N=C1c1ccc(OCCCCCc2onc(c2)C)cc1)C
InChI:   InChI=1/C19H24N2O3/c1-14-12-18(24-21-14)6-4-3-5-11-22-17-9-7-16(8-10-17)19-20-15(2)13-23-19/h7-10,12,15H,3-6,11,13H2,1-2H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=75.1867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.412 g/mol  logS: -3.93515  SlogP: 3.94009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0144185  Sterimol/B1: 2.61956  Sterimol/B2: 3.81293  Sterimol/B3: 4.24074
  Sterimol/B4: 4.65921  Sterimol/L: 23.2044 
 
 Surface and Volume Properties
  Accessible surface: 657.867  Positive charged surface: 452.727  Negative charged surface: 205.14  Volume: 330.75
  Hydrophobic surface: 578.455  Hydrophilic surface: 79.412
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.