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CHEMBRIDGE-ZINC04954777

 MMsINC code: MMs00814721
Type: Neutral
Formula: C23H24FN3O
SMILES:   Fc1ccc(cc1)CNc1nc2c(cccc2)c(c1)C(=O)NC1CCCCC1
InChI:   InChI=1/C23H24FN3O/c24-17-12-10-16(11-13-17)15-25-22-14-20(19-8-4-5-9-21(19)27-22)23(28)26-18-6-2-1-3-7-18/h4-5,8-14,18H,1-3,6-7,15H2,(H,25,27)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.1101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.463 g/mol  logS: -5.76129  SlogP: 5.3149  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.059781  Sterimol/B1: 3.04605  Sterimol/B2: 3.49243  Sterimol/B3: 3.84282
  Sterimol/B4: 10.723  Sterimol/L: 17.2419 
 
 Surface and Volume Properties
  Accessible surface: 670.301  Positive charged surface: 415.49  Negative charged surface: 249.275  Volume: 368.625
  Hydrophobic surface: 592.598  Hydrophilic surface: 77.703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.