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ASINEX-ZINC00671439

 MMsINC code: MMs00147612
Type: Neutral
Formula: C19H20N4O4
SMILES:   O=C(N)c1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C(=O)N
InChI:   InChI=1/C19H20N4O4/c20-18(26)12-6-1-3-8-14(12)22-16(24)10-5-11-17(25)23-15-9-4-2-7-13(15)19(21)27/h1-4,6-9H,5,10-11H2,(H2,20,26)(H2,21,27)(H,22,24)(H,23,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.3152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.393 g/mol  logS: -4.05325  SlogP: 1.6319  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00895026  Sterimol/B1: 2.1424  Sterimol/B2: 3.16798  Sterimol/B3: 3.40853
  Sterimol/B4: 6.49782  Sterimol/L: 19.2691 
 
 Surface and Volume Properties
  Accessible surface: 643.217  Positive charged surface: 401.985  Negative charged surface: 241.232  Volume: 336.625
  Hydrophobic surface: 392.428  Hydrophilic surface: 250.789
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.