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ASINEX-ZINC00314901

 MMsINC code: MMs00116880
Type: Neutral
Formula: C16H20N2O3
SMILES:   OC=1c2c(N(CC(C)C)C(=O)C=1C(=O)NCC)cccc2
InChI:   InChI=1/C16H20N2O3/c1-4-17-15(20)13-14(19)11-7-5-6-8-12(11)18(16(13)21)9-10(2)3/h5-8,10,19H,4,9H2,1-3H3,(H,17,20)

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Potential Energy
Epot(MMFF94)=56.7666 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.347 g/mol  logS: -3.0234  SlogP: 2.0944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0768493  Sterimol/B1: 2.4346  Sterimol/B2: 4.08541  Sterimol/B3: 4.4945
  Sterimol/B4: 7.1464  Sterimol/L: 14.484 
 
 Surface and Volume Properties
  Accessible surface: 531.97  Positive charged surface: 346.11  Negative charged surface: 185.86  Volume: 281.25
  Hydrophobic surface: 378.341  Hydrophilic surface: 153.629
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.