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CHEMDIV-ZINC03039130

 MMsINC code: MMs00906595
Type: Neutral
Formula: C24H27FN2O2
SMILES:   Fc1ccc(cc1)C1N(Cc2ccccc2)C(=O)CN(C1=O)C1CCCCCC1
InChI:   InChI=1/C24H27FN2O2/c25-20-14-12-19(13-15-20)23-24(29)26(21-10-6-1-2-7-11-21)17-22(28)27(23)16-18-8-4-3-5-9-18/h3-5,8-9,12-15,21,23H,1-2,6-7,10-11,16-17H2/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.49 g/mol  logS: -5.68968  SlogP: 4.8225  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16562  Sterimol/B1: 2.42998  Sterimol/B2: 3.35699  Sterimol/B3: 5.36856
  Sterimol/B4: 11.5126  Sterimol/L: 14.3516 
 
 Surface and Volume Properties
  Accessible surface: 639.566  Positive charged surface: 394.733  Negative charged surface: 244.833  Volume: 384.375
  Hydrophobic surface: 591.768  Hydrophilic surface: 47.798
 
 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.