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CHEMDIV-ZINC02724825

 MMsINC code: MMs00887121
Type: Neutral
Formula: C24H21FN2O4
SMILES:   Fc1cc2c(NC(=O)CN(C(=O)c3cc(OC)c(OC)cc3)C2c2ccccc2)cc1
InChI:   InChI=1/C24H21FN2O4/c1-30-20-11-8-16(12-21(20)31-2)24(29)27-14-22(28)26-19-10-9-17(25)13-18(19)23(27)15-6-4-3-5-7-15/h3-13,23H,14H2,1-2H3,(H,26,28)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=181.995 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.44 g/mol  logS: -5.70749  SlogP: 4.1223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.275463  Sterimol/B1: 3.58897  Sterimol/B2: 4.38737  Sterimol/B3: 6.30373
  Sterimol/B4: 7.33983  Sterimol/L: 13.741 
 
 Surface and Volume Properties
  Accessible surface: 637.089  Positive charged surface: 390.091  Negative charged surface: 246.998  Volume: 380.75
  Hydrophobic surface: 523.683  Hydrophilic surface: 113.406
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.