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IBS-ZINC05348467

 MMsINC code: MMs01943067
Type: Neutral
Formula: C16H17ClN2O3
SMILES:   Clc1cc2cc([nH]c2cc1)C(=O)N1CCC2(OCCO2)CC1
InChI:   InChI=1/C16H17ClN2O3/c17-12-1-2-13-11(9-12)10-14(18-13)15(20)19-5-3-16(4-6-19)21-7-8-22-16/h1-2,9-10,18H,3-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.7979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.776 g/mol  logS: -3.64459  SlogP: 2.8004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0562839  Sterimol/B1: 2.37724  Sterimol/B2: 2.95075  Sterimol/B3: 3.43853
  Sterimol/B4: 6.54313  Sterimol/L: 16.7042 
 
 Surface and Volume Properties
  Accessible surface: 532.824  Positive charged surface: 323.956  Negative charged surface: 203.67  Volume: 286.375
  Hydrophobic surface: 470.267  Hydrophilic surface: 62.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.