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ASINEX-ZINC04968426

 MMsINC code: MMs00417397
Type: Neutral
Formula: C24H30N4O3
SMILES:   O=C1N=C2N(C=CC(=C2)C)C(C1)(C(=O)N(Cc1ccccc1)CC(=O)NC(C)(C)C)
C
InChI:   InChI=1/C24H30N4O3/c1-17-11-12-28-19(13-17)25-20(29)14-24(28,5)22(31)27(15-18-9-7-6-8-10-18)16-21(30)26-23(2,3)4/h6-13H,14-16H2,1-5H3,(H,26,30)/t24-/m0/s1

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Potential Energy
Epot(MMFF94)=133.715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.529 g/mol  logS: -4.74348  SlogP: 3.0594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163861  Sterimol/B1: 3.47364  Sterimol/B2: 4.15596  Sterimol/B3: 5.25202
  Sterimol/B4: 7.8949  Sterimol/L: 15.1624 
 
 Surface and Volume Properties
  Accessible surface: 649.133  Positive charged surface: 391.543  Negative charged surface: 257.59  Volume: 414.5
  Hydrophobic surface: 487.631  Hydrophilic surface: 161.502
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.