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CHEMDIV-ZINC02724674

 MMsINC code: MMs00887043
Type: Neutral
Formula: C24H21FN2O3
SMILES:   Fc1cc2c(NC(=O)CN(C(=O)c3ccccc3OCC)C2c2ccccc2)cc1
InChI:   InChI=1/C24H21FN2O3/c1-2-30-21-11-7-6-10-18(21)24(29)27-15-22(28)26-20-13-12-17(25)14-19(20)23(27)16-8-4-3-5-9-16/h3-14,23H,2,15H2,1H3,(H,26,28)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.441 g/mol  logS: -5.98432  SlogP: 4.5038  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.259861  Sterimol/B1: 4.45493  Sterimol/B2: 4.87862  Sterimol/B3: 5.59662
  Sterimol/B4: 7.17893  Sterimol/L: 14.2934 
 
 Surface and Volume Properties
  Accessible surface: 620.997  Positive charged surface: 347.774  Negative charged surface: 273.223  Volume: 375.125
  Hydrophobic surface: 505.185  Hydrophilic surface: 115.812
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.