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IBS-ZINC05347618

 MMsINC code: MMs01942612
Type: Neutral
Formula: C18H17ClN2O4
SMILES:   Clc1cc(NC(=O)c2[nH]c3c(c2)c(OC)c(OC)c(OC)c3)ccc1
InChI:   InChI=1/C18H17ClN2O4/c1-23-15-9-13-12(16(24-2)17(15)25-3)8-14(21-13)18(22)20-11-6-4-5-10(19)7-11/h4-9,21H,1-3H3,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.3798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.797 g/mol  logS: -4.68312  SlogP: 4.0994  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0299782  Sterimol/B1: 2.0363  Sterimol/B2: 2.41619  Sterimol/B3: 4.18274
  Sterimol/B4: 9.11065  Sterimol/L: 17.9755 
 
 Surface and Volume Properties
  Accessible surface: 612.351  Positive charged surface: 396.169  Negative charged surface: 211.689  Volume: 323.125
  Hydrophobic surface: 527.036  Hydrophilic surface: 85.315
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.