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PUBCHEM-ZINC04191523

 MMsINC code: MMs03097924
Type: Neutral
Formula: C25H24N4O4
SMILES:   O(C)c1cc(OC)ccc1-c1nn(c(c1)C(=O)NCc1cccnc1)-c1ccc(OC)cc1
InChI:   InChI=1/C25H24N4O4/c1-31-19-8-6-18(7-9-19)29-23(25(30)27-16-17-5-4-12-26-15-17)14-22(28-29)21-11-10-20(32-2)13-24(21)33-3/h4-15H,16H2,1-3H3,(H,27,30)

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Potential Energy
Epot(MMFF94)=127.068 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 444.491 g/mol  logS: -4.89392  SlogP: 4.1565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0429359  Sterimol/B1: 2.11624  Sterimol/B2: 3.44916  Sterimol/B3: 3.74673
  Sterimol/B4: 15.7295  Sterimol/L: 17.1283 
 
 Surface and Volume Properties
  Accessible surface: 764.976  Positive charged surface: 557.794  Negative charged surface: 207.182  Volume: 426.125
  Hydrophobic surface: 673.303  Hydrophilic surface: 91.673
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.