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ASINEX-ZINC04848312

 MMsINC code: MMs00378698
Type: Neutral
Formula: C19H23FN4O4S
SMILES:   s1ccnc1NC(=O)CCC(=O)N(CC(=O)NCc1ccc(F)cc1)CCOC
InChI:   InChI=1/C19H23FN4O4S/c1-28-10-9-24(13-17(26)22-12-14-2-4-15(20)5-3-14)18(27)7-6-16(25)23-19-21-8-11-29-19/h2-5,8,11H,6-7,9-10,12-13H2,1H3,(H,22,26)(H,21,23,25)

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Potential Energy
Epot(MMFF94)=69.0456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.481 g/mol  logS: -3.26685  SlogP: 2.0587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362776  Sterimol/B1: 2.20485  Sterimol/B2: 2.27335  Sterimol/B3: 4.59372
  Sterimol/B4: 8.63506  Sterimol/L: 22.4108 
 
 Surface and Volume Properties
  Accessible surface: 725.62  Positive charged surface: 485.298  Negative charged surface: 240.322  Volume: 381.75
  Hydrophobic surface: 576.344  Hydrophilic surface: 149.276
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.