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ASINEX-ZINC04859044

 MMsINC code: MMs00386381
Type: Neutral
Formula: C24H26N4O2
SMILES:   O(C)c1ccc(cc1)-c1nnc(Nc2ccc(cc2)C(=O)N2CCCCCC2)cc1
InChI:   InChI=1/C24H26N4O2/c1-30-21-12-8-18(9-13-21)22-14-15-23(27-26-22)25-20-10-6-19(7-11-20)24(29)28-16-4-2-3-5-17-28/h6-15H,2-5,16-17H2,1H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=151.422 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.498 g/mol  logS: -5.49276  SlogP: 4.912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0278339  Sterimol/B1: 2.76153  Sterimol/B2: 3.36615  Sterimol/B3: 3.82541
  Sterimol/B4: 7.66234  Sterimol/L: 20.9922 
 
 Surface and Volume Properties
  Accessible surface: 689.193  Positive charged surface: 455.062  Negative charged surface: 228.633  Volume: 395.875
  Hydrophobic surface: 597.275  Hydrophilic surface: 91.918
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.