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PUBCHEM-ZINC01737650

 MMsINC code: MMs02819675
Type: Neutral
Formula: C17H16Cl3NO3
SMILES:   Clc1cc(Cl)c(Cl)cc1OC(C(OCCCc1ncccc1)=O)C
InChI:   InChI=1/C17H16Cl3NO3/c1-11(24-16-10-14(19)13(18)9-15(16)20)17(22)23-8-4-6-12-5-2-3-7-21-12/h2-3,5,7,9-11H,4,6,8H2,1H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=76.8335 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.678 g/mol  logS: -5.29943  SlogP: 4.98507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0360558  Sterimol/B1: 2.04759  Sterimol/B2: 4.96836  Sterimol/B3: 4.96869
  Sterimol/B4: 5.29274  Sterimol/L: 20.1781 
 
 Surface and Volume Properties
  Accessible surface: 644.133  Positive charged surface: 316.73  Negative charged surface: 327.404  Volume: 332.875
  Hydrophobic surface: 581.236  Hydrophilic surface: 62.897
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.