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CHEMBRIDGE-ZINC01797128

 MMsINC code: MMs00698035
Type: Neutral
Formula: C24H19N5O4
SMILES:   Oc1cc(ccc1)\C=N/NC(=O)C(NC(=O)c1ccccc1)C1=NNC(=O)c2c1cccc2
InChI:   InChI=1/C24H19N5O4/c30-17-10-6-7-15(13-17)14-25-28-24(33)21(26-22(31)16-8-2-1-3-9-16)20-18-11-4-5-12-19(18)23(32)29-27-20/h1-14,21,30H,(H,26,31)(H,28,33)(H,29,32)/b25-14-/t21-/m0/s1

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Potential Energy
Epot(MMFF94)=175.024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 441.447 g/mol  logS: -5.94968  SlogP: 1.7886  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.093959  Sterimol/B1: 3.65722  Sterimol/B2: 3.94073  Sterimol/B3: 4.90094
  Sterimol/B4: 9.11998  Sterimol/L: 18.9682 
 
 Surface and Volume Properties
  Accessible surface: 696.232  Positive charged surface: 380.344  Negative charged surface: 315.888  Volume: 396.875
  Hydrophobic surface: 460.816  Hydrophilic surface: 235.416
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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.