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ASINEX-ZINC04240698

 MMsINC code: MMs00321242
Type: Neutral
Formula: C25H32N2O4
SMILES:   o1cccc1C(=O)N(C(C(=O)NC1CCCC1)c1ccc(OC)cc1)C1CCCCC1
InChI:   InChI=1/C25H32N2O4/c1-30-21-15-13-18(14-16-21)23(24(28)26-19-8-5-6-9-19)27(20-10-3-2-4-11-20)25(29)22-12-7-17-31-22/h7,12-17,19-20,23H,2-6,8-11H2,1H3,(H,26,28)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=168.833 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.541 g/mol  logS: -5.5945  SlogP: 4.9587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.27059  Sterimol/B1: 2.41695  Sterimol/B2: 4.96415  Sterimol/B3: 5.67972
  Sterimol/B4: 11.0566  Sterimol/L: 16.0871 
 
 Surface and Volume Properties
  Accessible surface: 668.61  Positive charged surface: 467.899  Negative charged surface: 200.711  Volume: 416.25
  Hydrophobic surface: 612.055  Hydrophilic surface: 56.555
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.