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ASINEX-ZINC00467954

 MMsINC code: MMs00136113
Type: Neutral
Formula: C16H14ClNO5
SMILES:   Clc1cc(NC(=O)c2cc3OCOc3cc2)c(OC)cc1OC
InChI:   InChI=1/C16H14ClNO5/c1-20-13-7-14(21-2)11(6-10(13)17)18-16(19)9-3-4-12-15(5-9)23-8-22-12/h3-7H,8H2,1-2H3,(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.743 g/mol  logS: -4.14502  SlogP: 3.3382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0133676  Sterimol/B1: 2.3684  Sterimol/B2: 2.51768  Sterimol/B3: 2.85481
  Sterimol/B4: 8.63587  Sterimol/L: 18.0594 
 
 Surface and Volume Properties
  Accessible surface: 564.93  Positive charged surface: 366.906  Negative charged surface: 198.023  Volume: 289.125
  Hydrophobic surface: 463.056  Hydrophilic surface: 101.874
 
 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.