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ASINEX-ZINC01359385

 MMsINC code: MMs00245570
Type: Neutral
Formula: C24H25FN4O4S
SMILES:   S(=O)(=O)(N1CCCC1)c1ccc(cc1)-c1nc(on1)C1CCN(CC1)C(=O)c1cc(F)
ccc1
InChI:   InChI=1/C24H25FN4O4S/c25-20-5-3-4-19(16-20)24(30)28-14-10-18(11-15-28)23-26-22(27-33-23)17-6-8-21(9-7-17)34(31,32)29-12-1-2-13-29/h3-9,16,18H,1-2,10-15H2

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Potential Energy
Epot(MMFF94)=90.839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 484.552 g/mol  logS: -6.2411  SlogP: 3.68  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0443915  Sterimol/B1: 2.74017  Sterimol/B2: 2.81993  Sterimol/B3: 4.89292
  Sterimol/B4: 7.30367  Sterimol/L: 21.1692 
 
 Surface and Volume Properties
  Accessible surface: 764.002  Positive charged surface: 454.033  Negative charged surface: 309.969  Volume: 428.5
  Hydrophobic surface: 626.031  Hydrophilic surface: 137.971
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.