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CHEMDIV-ZINC06720460

 MMsINC code: MMs00999753
Type: Neutral
Formula: C23H18ClFN2O2
SMILES:   Clc1cc(NC(=O)CCCN2c3c(cccc3)C(=O)c3c2cccc3)ccc1F
InChI:   InChI=1/C23H18ClFN2O2/c24-18-14-15(11-12-19(18)25)26-22(28)10-5-13-27-20-8-3-1-6-16(20)23(29)17-7-2-4-9-21(17)27/h1-4,6-9,11-12,14H,5,10,13H2,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.86 g/mol  logS: -6.67285  SlogP: 5.5805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0665642  Sterimol/B1: 2.4277  Sterimol/B2: 3.73504  Sterimol/B3: 3.87219
  Sterimol/B4: 9.66648  Sterimol/L: 18.6265 
 
 Surface and Volume Properties
  Accessible surface: 655.919  Positive charged surface: 333.234  Negative charged surface: 322.685  Volume: 368.875
  Hydrophobic surface: 569.22  Hydrophilic surface: 86.699
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.