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IFLAB-ZINC02456583

 MMsINC code: MMs01989795
Type: Neutral
Formula: C19H16Cl2N2O4
SMILES:   Clc1cc(Cl)ccc1C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C(O)=O
InChI:   InChI=1/C19H16Cl2N2O4/c20-14-5-6-15(16(21)11-14)18(25)23-9-7-22(8-10-23)17(24)12-1-3-13(4-2-12)19(26)27/h1-6,11H,7-10H2,(H,26,27)

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Potential Energy
Epot(MMFF94)=120.837 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: 0.0824651  Sterimol/B1: 2.88467  Sterimol/B2: 4.27522  Sterimol/B3: 4.61494
  Sterimol/B4: 7.72528  Sterimol/L: 15.427 
 
 Surface and Volume Properties
  Accessible surface: 621.813  Positive charged surface: 303.158  Negative charged surface: 318.655  Volume: 344.5
  Hydrophobic surface: 466.904  Hydrophilic surface: 154.909
 
 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


MMs01989796
IFLAB-ZINC02456583