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PUBCHEM-ZINC00692774

 MMsINC code: MMs02729365
Type: Neutral
Formula: C16H10Cl3NO3
SMILES:   Clc1cc(cc(Cl)c1OCC)C=1OC(=O)c2cc(Cl)ccc2N=1
InChI:   InChI=1/C16H10Cl3NO3/c1-2-22-14-11(18)5-8(6-12(14)19)15-20-13-4-3-9(17)7-10(13)16(21)23-15/h3-7H,2H2,1H3

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Potential Energy
Epot(MMFF94)=70.869 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.619 g/mol  logS: -7.09562  SlogP: 5.2942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0120904  Sterimol/B1: 2.57232  Sterimol/B2: 3.15622  Sterimol/B3: 4.24362
  Sterimol/B4: 5.15989  Sterimol/L: 18.4843 
 
 Surface and Volume Properties
  Accessible surface: 568.697  Positive charged surface: 233.656  Negative charged surface: 335.041  Volume: 297.875
  Hydrophobic surface: 469.574  Hydrophilic surface: 99.123
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.