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CHEMDIV-ZINC02933190

 MMsINC code: MMs00893794
Type: Neutral
Formula: C24H27FN2O2
SMILES:   Fc1ccc(cc1)CN1C(c2c(cccc2)C1=O)C(=O)NC1CCCCCCC1
InChI:   InChI=1/C24H27FN2O2/c25-18-14-12-17(13-15-18)16-27-22(20-10-6-7-11-21(20)24(27)29)23(28)26-19-8-4-2-1-3-5-9-19/h6-7,10-15,19,22H,1-5,8-9,16H2,(H,26,28)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.49 g/mol  logS: -6.28445  SlogP: 5.1138  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110341  Sterimol/B1: 2.71594  Sterimol/B2: 2.95296  Sterimol/B3: 4.96378
  Sterimol/B4: 9.68994  Sterimol/L: 16.1928 
 
 Surface and Volume Properties
  Accessible surface: 648.252  Positive charged surface: 388.338  Negative charged surface: 259.914  Volume: 383.25
  Hydrophobic surface: 584.774  Hydrophilic surface: 63.478
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.