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NCID-ZINC01634821

 MMsINC code: MMs02278763
Type: Ionized
Formula: C11H17Cl3NO5-
SMILES:   ClC(Cl)(Cl)COC(=O)NC(C(OC(C)(C)C)C)C(=O)[O-]
InChI:   InChI=1/C11H18Cl3NO5/c1-6(20-10(2,3)4)7(8(16)17)15-9(18)19-5-11(12,13)14/h6-7H,5H2,1-4H3,(H,15,18)(H,16,17)/p-1/t6-,7-/m0/s1

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Potential Energy
Epot(MMFF94)=37.593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.618 g/mol  logS: -3.95546  SlogP: 1.8248  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0819399  Sterimol/B1: 2.30598  Sterimol/B2: 3.39351  Sterimol/B3: 4.16426
  Sterimol/B4: 6.32125  Sterimol/L: 16.3368 
 
 Surface and Volume Properties
  Accessible surface: 552.49  Positive charged surface: 235.457  Negative charged surface: 317.033  Volume: 289
  Hydrophobic surface: 202.272  Hydrophilic surface: 350.218
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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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Parent related molecule:


MMs02278762
NCID-ZINC01634821