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ASINEX-ZINC01360868

 MMsINC code: MMs00246305
Type: Neutral
Formula: C23H26F2N4O
SMILES:   Fc1cc(F)ccc1NC(=O)N(CCc1[nH]c2cc(C)c(cc2n1)C)C1CCCC1
InChI:   InChI=1/C23H26F2N4O/c1-14-11-20-21(12-15(14)2)27-22(26-20)9-10-29(17-5-3-4-6-17)23(30)28-19-8-7-16(24)13-18(19)25/h7-8,11-13,17H,3-6,9-10H2,1-2H3,(H,26,27)(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.8196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.484 g/mol  logS: -5.89681  SlogP: 5.47711  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0415407  Sterimol/B1: 2.52368  Sterimol/B2: 4.32434  Sterimol/B3: 4.99216
  Sterimol/B4: 6.78904  Sterimol/L: 19.1291 
 
 Surface and Volume Properties
  Accessible surface: 687.457  Positive charged surface: 427.071  Negative charged surface: 260.386  Volume: 389.125
  Hydrophobic surface: 629.093  Hydrophilic surface: 58.364
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.