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NCID-ZINC01647482

 MMsINC code: MMs02287963
Type: Neutral
Formula: C23H18N4O2
SMILES:   O(C)c1ccc(cc1)C1=NN=C2N(c3c(N2Cc2ccccc2)cccc3)C1=O
InChI:   InChI=1/C23H18N4O2/c1-29-18-13-11-17(12-14-18)21-22(28)27-20-10-6-5-9-19(20)26(23(27)25-24-21)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3

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Potential Energy
Epot(MMFF94)=136.809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.423 g/mol  logS: -6.14971  SlogP: 4.0887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0412451  Sterimol/B1: 3.24775  Sterimol/B2: 4.26461  Sterimol/B3: 5.82752
  Sterimol/B4: 6.55605  Sterimol/L: 18.4953 
 
 Surface and Volume Properties
  Accessible surface: 625.717  Positive charged surface: 379.054  Negative charged surface: 246.663  Volume: 360.125
  Hydrophobic surface: 540.523  Hydrophilic surface: 85.194
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.