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ASINEX-ZINC00921748

 MMsINC code: MMs00221506
Type: Neutral
Formula: C26H25ClN4O4
SMILES:   Clc1ccc(cc1)C(N(C(=O)c1nccnc1)c1cc2OCOc2cc1)C(=O)NC1CCCCC1
InChI:   InChI=1/C26H25ClN4O4/c27-18-8-6-17(7-9-18)24(25(32)30-19-4-2-1-3-5-19)31(26(33)21-15-28-12-13-29-21)20-10-11-22-23(14-20)35-16-34-22/h6-15,19,24H,1-5,16H2,(H,30,32)/t24-/m1/s1

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Potential Energy
Epot(MMFF94)=181.93 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.963 g/mol  logS: -4.98652  SlogP: 4.7912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.226204  Sterimol/B1: 2.65821  Sterimol/B2: 5.9751  Sterimol/B3: 7.43648
  Sterimol/B4: 7.91676  Sterimol/L: 16.3436 
 
 Surface and Volume Properties
  Accessible surface: 721.29  Positive charged surface: 487.077  Negative charged surface: 234.212  Volume: 444.75
  Hydrophobic surface: 592.073  Hydrophilic surface: 129.217
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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: 0
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Ions/Tautomers related molecules: no related molecules available.