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CHEMDIV-ZINC06948607

MMsINC code: MMs01067928

Type: Neutral
Formula: C24H25FN2O3
SMILES:   Fc1ccc(cc1)-c1n(CC(=O)NCCc2ccccc2)c(C)c(c1)C(OCC)=O
InChI:   InChI=1/C24H25FN2O3/c1-3-30-24(29)21-15-22(19-9-11-20(25)12-10-19)27(17(21)2)16-23(28)26-14-13-18-7-5-4-6-8-18/h4-12,15H,3,13-14,16H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=91.0728 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.473 g/mol  logS: -5.43654  SlogP: 4.40459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0697891  Sterimol/B1: 2.4484  Sterimol/B2: 3.04528  Sterimol/B3: 5.881
  Sterimol/B4: 9.73519  Sterimol/L: 19.9182 
 
 Surface and Volume Properties
  Accessible surface: 734.263  Positive charged surface: 440.167  Negative charged surface: 294.096  Volume: 398.75
  Hydrophobic surface: 638.118  Hydrophilic surface: 96.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.