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NCID-ZINC01655949

 MMsINC code: MMs02294482
Type: Neutral
Formula: C19H19Cl2NO4
SMILES:   Clc1cc(Cl)ccc1OCCCC(=O)NC(Cc1ccccc1)C(O)=O
InChI:   InChI=1/C19H19Cl2NO4/c20-14-8-9-17(15(21)12-14)26-10-4-7-18(23)22-16(19(24)25)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,12,16H,4,7,10-11H2,(H,22,23)(H,24,25)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.6501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.27 g/mol  logS: -4.98531  SlogP: 3.96447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0607463  Sterimol/B1: 2.5217  Sterimol/B2: 4.14298  Sterimol/B3: 4.33158
  Sterimol/B4: 9.26153  Sterimol/L: 18.4392 
 
 Surface and Volume Properties
  Accessible surface: 671  Positive charged surface: 331.823  Negative charged surface: 339.177  Volume: 353.5
  Hydrophobic surface: 552.652  Hydrophilic surface: 118.348
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02294483
NCID-ZINC01655949