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PUBCHEM-ZINC05932800

 MMsINC code: MMs03450741
Type: Neutral
Formula: C11H11BrCl2N2O3
SMILES:   Brc1nc2cc(Cl)c(Cl)cc2n1COC(CO)CO
InChI:   InChI=1/C11H11BrCl2N2O3/c12-11-15-9-1-7(13)8(14)2-10(9)16(11)5-19-6(3-17)4-18/h1-2,6,17-18H,3-5H2

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Potential Energy
Epot(MMFF94)=64.6397 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.03 g/mol  logS: -4.30236  SlogP: 2.6993  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0874918  Sterimol/B1: 2.9571  Sterimol/B2: 3.90987  Sterimol/B3: 5.15848
  Sterimol/B4: 5.79833  Sterimol/L: 14.154 
 
 Surface and Volume Properties
  Accessible surface: 516.251  Positive charged surface: 241.42  Negative charged surface: 274.83  Volume: 267.25
  Hydrophobic surface: 392.509  Hydrophilic surface: 123.742
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.