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IFLAB-ZINC02456579

 MMsINC code: MMs01989792
Type: Ionized
Formula: C19H15Cl2N2O4-
SMILES:   Clc1cc(Cl)ccc1C(=O)N1CCN(CC1)C(=O)c1ccccc1C(=O)[O-]
InChI:   InChI=1/C19H16Cl2N2O4/c20-12-5-6-15(16(21)11-12)18(25)23-9-7-22(8-10-23)17(24)13-3-1-2-4-14(13)19(26)27/h1-6,11H,7-10H2,(H,26,27)/p-1

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Potential Energy
Epot(MMFF94)=77.8493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.245 g/mol  logS: -5.10677  SlogP: 1.9551  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149108  Sterimol/B1: 3.31468  Sterimol/B2: 3.95692  Sterimol/B3: 6.50648
  Sterimol/B4: 6.52999  Sterimol/L: 15.4883 
 
 Surface and Volume Properties
  Accessible surface: 607.173  Positive charged surface: 273.33  Negative charged surface: 333.842  Volume: 347.75
  Hydrophobic surface: 480.435  Hydrophilic surface: 126.738
 
 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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MMs01989791
IFLAB-ZINC02456579