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ENAMINE-ZINC03263399

 MMsINC code: MMs01338066
Type: Neutral
Formula: C24H19N5O3
SMILES:   O(C)c1ccc(cc1)-c1nn(cc1C(=O)Nc1cc2NC(=O)Nc2cc1)-c1ccccc1
InChI:   InChI=1/C24H19N5O3/c1-32-18-10-7-15(8-11-18)22-19(14-29(28-22)17-5-3-2-4-6-17)23(30)25-16-9-12-20-21(13-16)27-24(31)26-20/h2-14H,1H3,(H,25,30)(H2,26,27,31)

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Potential Energy
Epot(MMFF94)=120.675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.448 g/mol  logS: -6.17601  SlogP: 4.7576  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0344641  Sterimol/B1: 2.46633  Sterimol/B2: 2.5325  Sterimol/B3: 3.89324
  Sterimol/B4: 12.0195  Sterimol/L: 18.9956 
 
 Surface and Volume Properties
  Accessible surface: 702.861  Positive charged surface: 418.724  Negative charged surface: 284.137  Volume: 391.5
  Hydrophobic surface: 519.569  Hydrophilic surface: 183.292
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.