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CHEMDIV-ZINC03583845

 MMsINC code: MMs00910951
Type: Neutral
Formula: C17H10Cl3NO3
SMILES:   Clc1ccccc1-c1noc(C)c1C(Oc1ccc(Cl)cc1Cl)=O
InChI:   InChI=1/C17H10Cl3NO3/c1-9-15(16(21-24-9)11-4-2-3-5-12(11)19)17(22)23-14-7-6-10(18)8-13(14)20/h2-8H,1H3

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Potential Energy
Epot(MMFF94)=88.8611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.63 g/mol  logS: -7.05673  SlogP: 5.82942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0772515  Sterimol/B1: 2.40204  Sterimol/B2: 3.19566  Sterimol/B3: 4.22315
  Sterimol/B4: 9.46726  Sterimol/L: 14.0232 
 
 Surface and Volume Properties
  Accessible surface: 561.146  Positive charged surface: 192.054  Negative charged surface: 369.092  Volume: 310.75
  Hydrophobic surface: 514.594  Hydrophilic surface: 46.552
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.