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IBS-ZINC00517683

 MMsINC code: MMs01743845
Type: Neutral
Formula: C15H16N2O3
SMILES:   O1C=2N(C)C(=O)N(C)C(=O)C=2CCC1c1ccccc1
InChI:   InChI=1/C15H16N2O3/c1-16-13(18)11-8-9-12(10-6-4-3-5-7-10)20-14(11)17(2)15(16)19/h3-7,12H,8-9H2,1-2H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=11.5763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.304 g/mol  logS: -2.58671  SlogP: 2.369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0618643  Sterimol/B1: 3.19682  Sterimol/B2: 3.35604  Sterimol/B3: 4.03865
  Sterimol/B4: 5.02125  Sterimol/L: 14.8858 
 
 Surface and Volume Properties
  Accessible surface: 486.238  Positive charged surface: 345.445  Negative charged surface: 140.793  Volume: 256.375
  Hydrophobic surface: 413.553  Hydrophilic surface: 72.685
 
 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.