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CHEMDIV-ZINC06720372

 MMsINC code: MMs00999660
Type: Neutral
Formula: C23H18ClFN2O2
SMILES:   Clc1cc(F)ccc1NC(=O)CCCN1c2c(cccc2)C(=O)c2c1cccc2
InChI:   InChI=1/C23H18ClFN2O2/c24-18-14-15(25)11-12-19(18)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)=110.213 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: 0.0694623  Sterimol/B1: 2.43313  Sterimol/B2: 3.78682  Sterimol/B3: 4.34117
  Sterimol/B4: 9.6567  Sterimol/L: 17.6653 
 
 Surface and Volume Properties
  Accessible surface: 653.165  Positive charged surface: 329.488  Negative charged surface: 323.677  Volume: 367.125
  Hydrophobic surface: 573.787  Hydrophilic surface: 79.378
 
 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.