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PUBCHEM-ZINC00484068

 MMsINC code: MMs02691273
Type: Neutral
Formula: C14H11Cl3N2O2
SMILES:   Clc1cc(Cl)ccc1OC(C(=O)Nc1cccnc1Cl)C
InChI:   InChI=1/C14H11Cl3N2O2/c1-8(21-12-5-4-9(15)7-10(12)16)14(20)19-11-3-2-6-18-13(11)17/h2-8H,1H3,(H,19,20)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=95.4497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.613 g/mol  logS: -5.01489  SlogP: 4.4478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0457301  Sterimol/B1: 2.65654  Sterimol/B2: 3.00859  Sterimol/B3: 4.32079
  Sterimol/B4: 6.5873  Sterimol/L: 17.2432 
 
 Surface and Volume Properties
  Accessible surface: 540.137  Positive charged surface: 221.63  Negative charged surface: 318.507  Volume: 281.75
  Hydrophobic surface: 464.251  Hydrophilic surface: 75.886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.