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CHEMDIV-ZINC03037490

 MMsINC code: MMs00906351
Type: Neutral
Formula: C24H27FN2O2
SMILES:   Fc1ccc(cc1)C1N(CCc2ccccc2)C(=O)CN(C1=O)C1CCCCC1
InChI:   InChI=1/C24H27FN2O2/c25-20-13-11-19(12-14-20)23-24(29)27(21-9-5-2-6-10-21)17-22(28)26(23)16-15-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,21,23H,2,5-6,9-10,15-17H2/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.49 g/mol  logS: -5.23593  SlogP: 4.20847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0884113  Sterimol/B1: 3.03294  Sterimol/B2: 3.11871  Sterimol/B3: 4.79316
  Sterimol/B4: 7.7595  Sterimol/L: 18.3215 
 
 Surface and Volume Properties
  Accessible surface: 649.543  Positive charged surface: 408.226  Negative charged surface: 241.318  Volume: 387.75
  Hydrophobic surface: 600.765  Hydrophilic surface: 48.778
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.