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ASINEX-ZINC04614751

 MMsINC code: MMs00356356
Type: Neutral
Formula: C20H23ClN2O3
SMILES:   Clc1ccc(cc1)CN1CCN(CC1)C(=O)c1cc(OC)cc(OC)c1
InChI:   InChI=1/C20H23ClN2O3/c1-25-18-11-16(12-19(13-18)26-2)20(24)23-9-7-22(8-10-23)14-15-3-5-17(21)6-4-15/h3-6,11-13H,7-10,14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.868 g/mol  logS: -4.0747  SlogP: 3.5816  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0864046  Sterimol/B1: 2.18826  Sterimol/B2: 3.55965  Sterimol/B3: 5.24126
  Sterimol/B4: 8.28816  Sterimol/L: 16.6819 
 
 Surface and Volume Properties
  Accessible surface: 638.686  Positive charged surface: 435.686  Negative charged surface: 202.999  Volume: 352.5
  Hydrophobic surface: 579.212  Hydrophilic surface: 59.474
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00356357
ASINEX-ZINC04614751