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IFLAB-ZINC02456579

 MMsINC code: MMs01989791
Type: Neutral
Formula: C19H16Cl2N2O4
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)

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Potential Energy
Epot(MMFF94)=108.092 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.253 g/mol  logS: -4.84632  SlogP: 3.2898  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143563  Sterimol/B1: 2.52231  Sterimol/B2: 3.11444  Sterimol/B3: 5.79321
  Sterimol/B4: 7.38398  Sterimol/L: 15.0051 
 
 Surface and Volume Properties
  Accessible surface: 602.198  Positive charged surface: 304.208  Negative charged surface: 297.99  Volume: 344.375
  Hydrophobic surface: 474.604  Hydrophilic surface: 127.594
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs01989792
IFLAB-ZINC02456579