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CHEMDIV-ZINC02724540

 MMsINC code: MMs00886995
Type: Neutral
Formula: C23H18ClFN2O2
SMILES:   Clc1cc2c(NC(=O)CN(C(=O)c3ccc(cc3)C)C2c2ccc(F)cc2)cc1
InChI:   InChI=1/C23H18ClFN2O2/c1-14-2-4-16(5-3-14)23(29)27-13-21(28)26-20-11-8-17(24)12-19(20)22(27)15-6-9-18(25)10-7-15/h2-12,22H,13H2,1H3,(H,26,28)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=155.507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.86 g/mol  logS: -6.81494  SlogP: 5.06692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.318879  Sterimol/B1: 4.30684  Sterimol/B2: 5.00489  Sterimol/B3: 6.01964
  Sterimol/B4: 6.33783  Sterimol/L: 14.2472 
 
 Surface and Volume Properties
  Accessible surface: 603.245  Positive charged surface: 278.159  Negative charged surface: 325.085  Volume: 364.125
  Hydrophobic surface: 505.707  Hydrophilic surface: 97.538
 
 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.