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PUBCHEM-ZINC04817487

 MMsINC code: MMs03174438
Type: Neutral
Formula: C19H22N4O4
SMILES:   O(C)c1cc(ccc1OC)C(=O)NCC(=O)N\N=C(/C)\c1ccc(N)cc1
InChI:   InChI=1/C19H22N4O4/c1-12(13-4-7-15(20)8-5-13)22-23-18(24)11-21-19(25)14-6-9-16(26-2)17(10-14)27-3/h4-10H,11,20H2,1-3H3,(H,21,25)(H,23,24)/b22-12-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=146.156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.409 g/mol  logS: -3.83852  SlogP: 1.5562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0135135  Sterimol/B1: 2.32746  Sterimol/B2: 2.65387  Sterimol/B3: 3.1523
  Sterimol/B4: 8.54767  Sterimol/L: 19.6544 
 
 Surface and Volume Properties
  Accessible surface: 670.542  Positive charged surface: 463.765  Negative charged surface: 206.777  Volume: 350.125
  Hydrophobic surface: 484.021  Hydrophilic surface: 186.521
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.