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CHEMDIV-ZINC04657686

 MMsINC code: MMs00939745
Type: Neutral
Formula: C15H13Cl2NO2
SMILES:   Clc1cc(Cl)ccc1CNCc1ccc(cc1)C(O)=O
InChI:   InChI=1/C15H13Cl2NO2/c16-13-6-5-12(14(17)7-13)9-18-8-10-1-3-11(4-2-10)15(19)20/h1-7,18H,8-9H2,(H,19,20)

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Potential Energy
Epot(MMFF94)=41.8019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.18 g/mol  logS: -4.33126  SlogP: 4.5142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11164  Sterimol/B1: 2.89973  Sterimol/B2: 3.51783  Sterimol/B3: 4.63447
  Sterimol/B4: 5.54837  Sterimol/L: 16.6311 
 
 Surface and Volume Properties
  Accessible surface: 528.165  Positive charged surface: 245.467  Negative charged surface: 282.698  Volume: 272.875
  Hydrophobic surface: 412.82  Hydrophilic surface: 115.345
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.