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MAYBRIDGE-ZINC00074547

 MMsINC code: MMs02127848
Type: Neutral
Formula: C13H10Cl2N2O2
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C=1OCCN=1
InChI:   InChI=1/C13H10Cl2N2O2/c1-7-10(13-16-5-6-18-13)12(17-19-7)11-8(14)3-2-4-9(11)15/h2-4H,5-6H2,1H3

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Potential Energy
Epot(MMFF94)=70.4872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.141 g/mol  logS: -4.83372  SlogP: 3.73362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134767  Sterimol/B1: 2.74089  Sterimol/B2: 4.05186  Sterimol/B3: 4.13407
  Sterimol/B4: 6.90693  Sterimol/L: 11.7275 
 
 Surface and Volume Properties
  Accessible surface: 471.994  Positive charged surface: 233.727  Negative charged surface: 238.267  Volume: 248.5
  Hydrophobic surface: 433.945  Hydrophilic surface: 38.049
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.