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ENAMINE-ZINC03436985

 MMsINC code: MMs01441247
Type: Neutral
Formula: C17H14ClNO5
SMILES:   Clc1ccc(NC(=O)C(OC(=O)c2cc3OCOc3cc2)C)cc1
InChI:   InChI=1/C17H14ClNO5/c1-10(16(20)19-13-5-3-12(18)4-6-13)24-17(21)11-2-7-14-15(8-11)23-9-22-14/h2-8,10H,9H2,1H3,(H,19,20)/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.9626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.754 g/mol  logS: -4.77964  SlogP: 3.2527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0461623  Sterimol/B1: 2.1453  Sterimol/B2: 2.42316  Sterimol/B3: 4.78683
  Sterimol/B4: 7.06288  Sterimol/L: 19.5544 
 
 Surface and Volume Properties
  Accessible surface: 592.999  Positive charged surface: 317.641  Negative charged surface: 275.358  Volume: 301.125
  Hydrophobic surface: 447.05  Hydrophilic surface: 145.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.