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ASINEX-ZINC00851828

 MMsINC code: MMs00192927
Type: Neutral
Formula: C17H18ClNO5
SMILES:   Clc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)cc1
InChI:   InChI=1/C17H18ClNO5/c1-21-13-6-5-11(18)9-12(13)19-17(20)10-7-14(22-2)16(24-4)15(8-10)23-3/h5-9H,1-4H3,(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.786 g/mol  logS: -4.29068  SlogP: 3.6267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0349402  Sterimol/B1: 2.34492  Sterimol/B2: 3.55566  Sterimol/B3: 4.15524
  Sterimol/B4: 8.41238  Sterimol/L: 15.9042 
 
 Surface and Volume Properties
  Accessible surface: 604.255  Positive charged surface: 435.695  Negative charged surface: 168.56  Volume: 317.125
  Hydrophobic surface: 547.826  Hydrophilic surface: 56.429
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.