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ASINEX-ZINC01379856

 MMsINC code: MMs00252389
Type: Neutral
Formula: C19H19ClFN3O2
SMILES:   Clc1ccc(NC(=O)N2CCCC2C(=O)NCc2ccc(F)cc2)cc1
InChI:   InChI=1/C19H19ClFN3O2/c20-14-5-9-16(10-6-14)23-19(26)24-11-1-2-17(24)18(25)22-12-13-3-7-15(21)8-4-13/h3-10,17H,1-2,11-12H2,(H,22,25)(H,23,26)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.6309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.831 g/mol  logS: -4.84432  SlogP: 4.0582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.052266  Sterimol/B1: 2.98939  Sterimol/B2: 3.74187  Sterimol/B3: 4.08665
  Sterimol/B4: 8.4123  Sterimol/L: 18.3038 
 
 Surface and Volume Properties
  Accessible surface: 639.065  Positive charged surface: 354.333  Negative charged surface: 284.732  Volume: 337.875
  Hydrophobic surface: 574.358  Hydrophilic surface: 64.707
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.