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IBS-ZINC01269819

 MMsINC code: MMs01765287
Type: Neutral
Formula: C23H19N3O3
SMILES:   O(C)c1ccc(N(C(=O)c2ncccc2)CC2=Cc3c(NC2=O)cccc3)cc1
InChI:   InChI=1/C23H19N3O3/c1-29-19-11-9-18(10-12-19)26(23(28)21-8-4-5-13-24-21)15-17-14-16-6-2-3-7-20(16)25-22(17)27/h2-14H,15H2,1H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=127.03 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.423 g/mol  logS: -4.82828  SlogP: 3.7727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149611  Sterimol/B1: 2.17211  Sterimol/B2: 2.22613  Sterimol/B3: 5.7916
  Sterimol/B4: 9.89701  Sterimol/L: 15.1126 
 
 Surface and Volume Properties
  Accessible surface: 621.771  Positive charged surface: 407.139  Negative charged surface: 214.631  Volume: 366.625
  Hydrophobic surface: 528.284  Hydrophilic surface: 93.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.