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ASINEX-ZINC05251874

 MMsINC code: MMs00441344
Type: Neutral
Formula: C19H18FN5O3
SMILES:   Fc1ccc(cc1)C(=O)CN1c2n(c3c(n2)N(C)C(=O)N(C)C3=O)C(C)=C1C
InChI:   InChI=1/C19H18FN5O3/c1-10-11(2)25-15-16(22(3)19(28)23(4)17(15)27)21-18(25)24(10)9-14(26)12-5-7-13(20)8-6-12/h5-8H,9H2,1-4H3

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Potential Energy
Epot(MMFF94)=62.8784 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.383 g/mol  logS: -4.41219  SlogP: 2.5753  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0576431  Sterimol/B1: 2.44301  Sterimol/B2: 2.97548  Sterimol/B3: 4.34146
  Sterimol/B4: 8.97573  Sterimol/L: 17.7749 
 
 Surface and Volume Properties
  Accessible surface: 615.369  Positive charged surface: 387.189  Negative charged surface: 228.18  Volume: 342.25
  Hydrophobic surface: 495.4  Hydrophilic surface: 119.969
 
 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.