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ENAMINE-ZINC03507698

 MMsINC code: MMs01480815
Type: Neutral
Formula: C16H13Cl2NO4
SMILES:   Clc1cc(Cl)ccc1CNC(=O)COC(=O)c1ccc(O)cc1
InChI:   InChI=1/C16H13Cl2NO4/c17-12-4-1-11(14(18)7-12)8-19-15(21)9-23-16(22)10-2-5-13(20)6-3-10/h1-7,20H,8-9H2,(H,19,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.1582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.189 g/mol  logS: -4.81371  SlogP: 3.4386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0313284  Sterimol/B1: 2.54488  Sterimol/B2: 3.09824  Sterimol/B3: 4.97338
  Sterimol/B4: 5.21479  Sterimol/L: 20.3061 
 
 Surface and Volume Properties
  Accessible surface: 594.088  Positive charged surface: 281.062  Negative charged surface: 313.026  Volume: 302.25
  Hydrophobic surface: 453.625  Hydrophilic surface: 140.463
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.