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CHEMDIV-ZINC03038530

 MMsINC code: MMs00906495
Type: Neutral
Formula: C24H27FN2O2
SMILES:   Fc1ccc(cc1)C1N(Cc2ccccc2)C(=O)CN(C1=O)C1CCC(CC1)C
InChI:   InChI=1/C24H27FN2O2/c1-17-7-13-21(14-8-17)26-16-22(28)27(15-18-5-3-2-4-6-18)23(24(26)29)19-9-11-20(25)12-10-19/h2-6,9-12,17,21,23H,7-8,13-16H2,1H3/t17-,21+,23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=198.197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.49 g/mol  logS: -5.68968  SlogP: 4.6784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.25931  Sterimol/B1: 2.18682  Sterimol/B2: 4.22683  Sterimol/B3: 6.16752
  Sterimol/B4: 6.90158  Sterimol/L: 13.4578 
 
 Surface and Volume Properties
  Accessible surface: 589.317  Positive charged surface: 384.686  Negative charged surface: 204.631  Volume: 382.625
  Hydrophobic surface: 503.744  Hydrophilic surface: 85.573
 
 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.