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ASINEX-ZINC00271797

 MMsINC code: MMs00104750
Type: Neutral
Formula: C20H16N2O3
SMILES:   Oc1ccc(N2C(=O)c3c4c(cccc4c(N(C)C)cc3)C2=O)cc1
InChI:   InChI=1/C20H16N2O3/c1-21(2)17-11-10-16-18-14(17)4-3-5-15(18)19(24)22(20(16)25)12-6-8-13(23)9-7-12/h3-11,23H,1-2H3

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Potential Energy
Epot(MMFF94)=154.114 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.359 g/mol  logS: -5.20193  SlogP: 3.412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0622323  Sterimol/B1: 2.42255  Sterimol/B2: 3.5833  Sterimol/B3: 4.82498
  Sterimol/B4: 6.39747  Sterimol/L: 16.8911 
 
 Surface and Volume Properties
  Accessible surface: 559.757  Positive charged surface: 355.629  Negative charged surface: 194.158  Volume: 312.625
  Hydrophobic surface: 450.129  Hydrophilic surface: 109.628
 
 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.