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ASINEX-ZINC00084160

 MMsINC code: MMs00071875
Type: Neutral
Formula: C19H19NO3
SMILES:   OC1(c2c(N(C)C1=O)cccc2)CC(=O)c1ccc(cc1)CC
InChI:   InChI=1/C19H19NO3/c1-3-13-8-10-14(11-9-13)17(21)12-19(23)15-6-4-5-7-16(15)20(2)18(19)22/h4-11,23H,3,12H2,1-2H3/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=79.9556 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.365 g/mol  logS: -4.37115  SlogP: 2.99747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.060952  Sterimol/B1: 3.48563  Sterimol/B2: 4.03769  Sterimol/B3: 4.25123
  Sterimol/B4: 5.55487  Sterimol/L: 16.8074 
 
 Surface and Volume Properties
  Accessible surface: 557.307  Positive charged surface: 348.834  Negative charged surface: 208.473  Volume: 302.75
  Hydrophobic surface: 459.126  Hydrophilic surface: 98.181
 
 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: no related molecules available.