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CHEMDIV-ZINC04757184

 MMsINC code: MMs00947121
Type: Neutral
Formula: C23H27FN2O3
SMILES:   Fc1ccc(cc1)C1N(C(=O)CCC1C(=O)NCCCC)c1ccc(OC)cc1
InChI:   InChI=1/C23H27FN2O3/c1-3-4-15-25-23(28)20-13-14-21(27)26(18-9-11-19(29-2)12-10-18)22(20)16-5-7-17(24)8-6-16/h5-12,20,22H,3-4,13-15H2,1-2H3,(H,25,28)/t20-,22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.478 g/mol  logS: -4.80002  SlogP: 4.3304  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13091  Sterimol/B1: 3.95963  Sterimol/B2: 4.39987  Sterimol/B3: 5.37358
  Sterimol/B4: 7.59195  Sterimol/L: 18.2851 
 
 Surface and Volume Properties
  Accessible surface: 657.221  Positive charged surface: 461.47  Negative charged surface: 195.751  Volume: 385.75
  Hydrophobic surface: 574.473  Hydrophilic surface: 82.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.