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CHEMDIV-ZINC06876444

 MMsINC code: MMs01051523
Type: Neutral
Formula: C18H23FN2O3
SMILES:   Fc1ccc(cc1)-c1onc(c1)COCC(=O)N(CCCC)CC
InChI:   InChI=1/C18H23FN2O3/c1-3-5-10-21(4-2)18(22)13-23-12-16-11-17(24-20-16)14-6-8-15(19)9-7-14/h6-9,11H,3-5,10,12-13H2,1-2H3

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Potential Energy
Epot(MMFF94)=70.4179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.391 g/mol  logS: -4.4285  SlogP: 3.9123  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0345734  Sterimol/B1: 2.19507  Sterimol/B2: 2.32975  Sterimol/B3: 4.4422
  Sterimol/B4: 8.68288  Sterimol/L: 17.9185 
 
 Surface and Volume Properties
  Accessible surface: 629.511  Positive charged surface: 395.74  Negative charged surface: 233.771  Volume: 325.75
  Hydrophobic surface: 520.155  Hydrophilic surface: 109.356
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.