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PUBCHEM-ZINC02929850

 MMsINC code: MMs02961437
Type: Neutral
Formula: C24H25FN2O4
SMILES:   Fc1ccc(cc1)-c1n(CCC(=O)Nc2ccc(OC)cc2OC)c(C)c(c1)C(=O)C
InChI:   InChI=1/C24H25FN2O4/c1-15-20(16(2)28)14-22(17-5-7-18(25)8-6-17)27(15)12-11-24(29)26-21-10-9-19(30-3)13-23(21)31-4/h5-10,13-14H,11-12H2,1-4H3,(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.472 g/mol  logS: -5.01704  SlogP: 5.11762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0985341  Sterimol/B1: 2.17385  Sterimol/B2: 3.98599  Sterimol/B3: 5.93283
  Sterimol/B4: 10.4485  Sterimol/L: 19.5673 
 
 Surface and Volume Properties
  Accessible surface: 712.568  Positive charged surface: 456.362  Negative charged surface: 256.206  Volume: 403.5
  Hydrophobic surface: 617.947  Hydrophilic surface: 94.621
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.