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COMGENEX-ZINC06874984

 MMsINC code: MMs01221530
Type: Neutral
Formula: C18H18ClFN2O3
SMILES:   Clc1oc(cc1)C1=NOC(C1)CN(Cc1ccccc1F)C(=O)CC
InChI:   InChI=1/C18H18ClFN2O3/c1-2-18(23)22(10-12-5-3-4-6-14(12)20)11-13-9-15(21-25-13)16-7-8-17(19)24-16/h3-8,13H,2,9-11H2,1H3/t13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.7574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.804 g/mol  logS: -5.08381  SlogP: 4.2703  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0902955  Sterimol/B1: 2.33514  Sterimol/B2: 3.84526  Sterimol/B3: 4.36118
  Sterimol/B4: 9.76664  Sterimol/L: 15.9025 
 
 Surface and Volume Properties
  Accessible surface: 603.999  Positive charged surface: 321.591  Negative charged surface: 282.407  Volume: 326.375
  Hydrophobic surface: 505.215  Hydrophilic surface: 98.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.