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PUBCHEM-ZINC06091347

 MMsINC code: MMs03537345
Type: Neutral
Formula: C10H9Cl2NO4
SMILES:   Clc1cc(NC(=O)C(O)CC(O)=O)cc(Cl)c1
InChI:   InChI=1/C10H9Cl2NO4/c11-5-1-6(12)3-7(2-5)13-10(17)8(14)4-9(15)16/h1-3,8,14H,4H2,(H,13,17)(H,15,16)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=33.9673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.091 g/mol  logS: -2.73077  SlogP: 1.7675  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0669246  Sterimol/B1: 2.99995  Sterimol/B2: 3.63082  Sterimol/B3: 3.89549
  Sterimol/B4: 5.33961  Sterimol/L: 14.1649 
 
 Surface and Volume Properties
  Accessible surface: 457.757  Positive charged surface: 189.918  Negative charged surface: 267.839  Volume: 221.25
  Hydrophobic surface: 285.708  Hydrophilic surface: 172.049
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs03537346
PUBCHEM-ZINC06091347