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IFLAB-ZINC02456555

 MMsINC code: MMs01989774
Type: Ionized
Formula: C19H16ClN2O4-
SMILES:   Clc1ccccc1C(=O)N1CCN(CC1)C(=O)c1ccccc1C(=O)[O-]
InChI:   InChI=1/C19H17ClN2O4/c20-16-8-4-3-7-15(16)18(24)22-11-9-21(10-12-22)17(23)13-5-1-2-6-14(13)19(25)26/h1-8H,9-12H2,(H,25,26)/p-1

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Potential Energy
Epot(MMFF94)=80.0239 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.8 g/mol  logS: -4.37248  SlogP: 1.3017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153801  Sterimol/B1: 3.1907  Sterimol/B2: 3.31646  Sterimol/B3: 6.40717
  Sterimol/B4: 6.58154  Sterimol/L: 14.4134 
 
 Surface and Volume Properties
  Accessible surface: 580.829  Positive charged surface: 296.15  Negative charged surface: 284.679  Volume: 329.125
  Hydrophobic surface: 455.406  Hydrophilic surface: 125.423
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs01989773
IFLAB-ZINC02456555