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CHEMDIV-ZINC02494081

 MMsINC code: MMs00881534
Type: Neutral
Formula: C25H23FN2O2
SMILES:   Fc1ccc(cc1)C1N(CC(=O)Nc2c1cc(cc2)C)C(=O)c1cc(cc(c1)C)C
InChI:   InChI=1/C25H23FN2O2/c1-15-4-9-22-21(13-15)24(18-5-7-20(26)8-6-18)28(14-23(29)27-22)25(30)19-11-16(2)10-17(3)12-19/h4-13,24H,14H2,1-3H3,(H,27,29)/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=170.283 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.469 g/mol  logS: -7.02849  SlogP: 5.03036  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.334149  Sterimol/B1: 2.40505  Sterimol/B2: 4.51485  Sterimol/B3: 6.31928
  Sterimol/B4: 9.07947  Sterimol/L: 13.8568 
 
 Surface and Volume Properties
  Accessible surface: 618.254  Positive charged surface: 335.794  Negative charged surface: 282.46  Volume: 380.875
  Hydrophobic surface: 520.209  Hydrophilic surface: 98.045
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.