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ASINEX-ZINC02054621

 MMsINC code: MMs00261309
Type: Neutral
Formula: C10H13Cl3N2O3
SMILES:   ClC(Cl)(Cl)C(NC(=O)c1occc1)NCCOC
InChI:   InChI=1/C10H13Cl3N2O3/c1-17-6-4-14-9(10(11,12)13)15-8(16)7-3-2-5-18-7/h2-3,5,9,14H,4,6H2,1H3,(H,15,16)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=45.9358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.584 g/mol  logS: -3.48065  SlogP: 2.3616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128424  Sterimol/B1: 2.28959  Sterimol/B2: 3.72794  Sterimol/B3: 4.27491
  Sterimol/B4: 8.43974  Sterimol/L: 13.2665 
 
 Surface and Volume Properties
  Accessible surface: 519.493  Positive charged surface: 249.865  Negative charged surface: 269.628  Volume: 255.375
  Hydrophobic surface: 309.114  Hydrophilic surface: 210.379
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.