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ENAMINE-ZINC06370940

 MMsINC code: MMs01662433
Type: Neutral
Formula: C16H11Cl2N3O3
SMILES:   Clc1cc(Cl)ccc1NC(=O)COC(=O)c1n[nH]c2c1cccc2
InChI:   InChI=1/C16H11Cl2N3O3/c17-9-5-6-13(11(18)7-9)19-14(22)8-24-16(23)15-10-3-1-2-4-12(10)20-21-15/h1-7H,8H2,(H,19,22)(H,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.9876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.188 g/mol  logS: -5.66726  SlogP: 3.6652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00917894  Sterimol/B1: 2.60508  Sterimol/B2: 3.08835  Sterimol/B3: 3.54377
  Sterimol/B4: 5.57819  Sterimol/L: 19.9257 
 
 Surface and Volume Properties
  Accessible surface: 594.278  Positive charged surface: 260.446  Negative charged surface: 328.239  Volume: 301
  Hydrophobic surface: 453.042  Hydrophilic surface: 141.236
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.