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ASINEX-ZINC00921417

 MMsINC code: MMs00221343
Type: Neutral
Formula: C26H28N4O3
SMILES:   O(C)c1ccc(cc1)C(N(C(=O)c1nccnc1)c1ccccc1)C(=O)NC1CCCCC1
InChI:   InChI=1/C26H28N4O3/c1-33-22-14-12-19(13-15-22)24(25(31)29-20-8-4-2-5-9-20)30(21-10-6-3-7-11-21)26(32)23-18-27-16-17-28-23/h3,6-7,10-18,20,24H,2,4-5,8-9H2,1H3,(H,29,31)/t24-/m1/s1

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Potential Energy
Epot(MMFF94)=183.343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 444.535 g/mol  logS: -4.34751  SlogP: 4.4177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.214661  Sterimol/B1: 2.56889  Sterimol/B2: 4.99411  Sterimol/B3: 5.12702
  Sterimol/B4: 11.278  Sterimol/L: 16.6409 
 
 Surface and Volume Properties
  Accessible surface: 703.351  Positive charged surface: 544.234  Negative charged surface: 159.116  Volume: 432.375
  Hydrophobic surface: 620.655  Hydrophilic surface: 82.696
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.