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CHEMDIV-ZINC06750740

 MMsINC code: MMs01013546
Type: Neutral
Formula: C17H16Cl2N2O2
SMILES:   Clc1cc(NC(=O)N2CC(Oc3c2cc(Cl)cc3)C)ccc1C
InChI:   InChI=1/C17H16Cl2N2O2/c1-10-3-5-13(8-14(10)19)20-17(22)21-9-11(2)23-16-6-4-12(18)7-15(16)21/h3-8,11H,9H2,1-2H3,(H,20,22)/t11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.5833 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.233 g/mol  logS: -5.30154  SlogP: 5.12122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0199633  Sterimol/B1: 2.60631  Sterimol/B2: 3.36414  Sterimol/B3: 5.78705
  Sterimol/B4: 6.51235  Sterimol/L: 15.5582 
 
 Surface and Volume Properties
  Accessible surface: 579.358  Positive charged surface: 289.764  Negative charged surface: 289.595  Volume: 308.75
  Hydrophobic surface: 518.789  Hydrophilic surface: 60.569
 
 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.