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PUBCHEM-ZINC05402650

 MMsINC code: MMs03258254
Type: Neutral
Formula: C19H18N4O4
SMILES:   O(C)c1cc(OC)ccc1-c1n[nH]c(c1)C(=O)N\N=C\c1ccccc1O
InChI:   InChI=1/C19H18N4O4/c1-26-13-7-8-14(18(9-13)27-2)15-10-16(22-21-15)19(25)23-20-11-12-5-3-4-6-17(12)24/h3-11,24H,1-2H3,(H,21,22)(H,23,25)/b20-11+

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Potential Energy
Epot(MMFF94)=124.764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.377 g/mol  logS: -4.2611  SlogP: 2.5634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00263314  Sterimol/B1: 1.98027  Sterimol/B2: 2.38156  Sterimol/B3: 2.43746
  Sterimol/B4: 8.03765  Sterimol/L: 21.8579 
 
 Surface and Volume Properties
  Accessible surface: 657.866  Positive charged surface: 448.861  Negative charged surface: 209.005  Volume: 339.375
  Hydrophobic surface: 476.558  Hydrophilic surface: 181.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  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.