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CHEMDIV-ZINC04937999

 MMsINC code: MMs00971486
Type: Neutral
Formula: C19H26N2O3
SMILES:   o1nc(cc1-c1ccc(OC)cc1)CCCC(=O)NCCC(C)C
InChI:   InChI=1/C19H26N2O3/c1-14(2)11-12-20-19(22)6-4-5-16-13-18(24-21-16)15-7-9-17(23-3)10-8-15/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=63.478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.428 g/mol  logS: -4.48042  SlogP: 3.83517  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0297347  Sterimol/B1: 3.09084  Sterimol/B2: 3.73857  Sterimol/B3: 4.22788
  Sterimol/B4: 4.29392  Sterimol/L: 23.6895 
 
 Surface and Volume Properties
  Accessible surface: 663.991  Positive charged surface: 468.645  Negative charged surface: 195.346  Volume: 341.125
  Hydrophobic surface: 543.76  Hydrophilic surface: 120.231
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.