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ENAMINE-ZINC06938949

 MMsINC code: MMs01714343
Type: Neutral
Formula: C18H19ClN4O3
SMILES:   Clc1ccccc1C(NC(=O)N)CC(=O)Nc1ccc(cc1)C(=O)NC
InChI:   InChI=1/C18H19ClN4O3/c1-21-17(25)11-6-8-12(9-7-11)22-16(24)10-15(23-18(20)26)13-4-2-3-5-14(13)19/h2-9,15H,10H2,1H3,(H,21,25)(H,22,24)(H3,20,23,26)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.6656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.828 g/mol  logS: -4.23699  SlogP: 2.5333  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.067489  Sterimol/B1: 4.09723  Sterimol/B2: 4.14179  Sterimol/B3: 4.50779
  Sterimol/B4: 4.73557  Sterimol/L: 19.7393 
 
 Surface and Volume Properties
  Accessible surface: 626.545  Positive charged surface: 385.806  Negative charged surface: 240.739  Volume: 338.875
  Hydrophobic surface: 440.528  Hydrophilic surface: 186.017
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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.