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CHEMDIV-ZINC04757186

 MMsINC code: MMs00947123
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)=94.3168 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: 0.0658675  Sterimol/B1: 3.79597  Sterimol/B2: 4.6374  Sterimol/B3: 5.81557
  Sterimol/B4: 6.1265  Sterimol/L: 20.4468 
 
 Surface and Volume Properties
  Accessible surface: 676.554  Positive charged surface: 474.571  Negative charged surface: 201.983  Volume: 386.125
  Hydrophobic surface: 586.051  Hydrophilic surface: 90.503
 
 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.