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ENAMINE-ZINC03517509

 MMsINC code: MMs01487018
Type: Neutral
Formula: C17H15Cl2NO3
SMILES:   Clc1cc(Cl)ccc1CC(=O)Nc1cc(ccc1C)C(OC)=O
InChI:   InChI=1/C17H15Cl2NO3/c1-10-3-4-12(17(22)23-2)7-15(10)20-16(21)8-11-5-6-13(18)9-14(11)19/h3-7,9H,8H2,1-2H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.9868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.217 g/mol  logS: -5.42712  SlogP: 4.26959  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0597345  Sterimol/B1: 2.00007  Sterimol/B2: 3.56663  Sterimol/B3: 4.66167
  Sterimol/B4: 9.41231  Sterimol/L: 15.6351 
 
 Surface and Volume Properties
  Accessible surface: 592.167  Positive charged surface: 314.209  Negative charged surface: 277.958  Volume: 310.625
  Hydrophobic surface: 526.002  Hydrophilic surface: 66.165
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.