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SIAL-ZINC03080956

 MMsINC code: MMs03914974
Type: Neutral
Formula: C10H9Cl2NO5
SMILES:   Clc1cc(Cl)ccc1NC(=O)C(O)C(O)C(O)=O
InChI:   InChI=1/C10H9Cl2NO5/c11-4-1-2-6(5(12)3-4)13-9(16)7(14)8(15)10(17)18/h1-3,7-8,14-15H,(H,13,16)(H,17,18)/t7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=66.0685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.09 g/mol  logS: -2.64631  SlogP: 0.7383  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0437124  Sterimol/B1: 2.45781  Sterimol/B2: 2.52588  Sterimol/B3: 3.49509
  Sterimol/B4: 6.11413  Sterimol/L: 15.3117 
 
 Surface and Volume Properties
  Accessible surface: 459.255  Positive charged surface: 190.485  Negative charged surface: 268.77  Volume: 222.875
  Hydrophobic surface: 270.081  Hydrophilic surface: 189.174
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  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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Ions/Tautomers related molecules


MMs03914975
SIAL-ZINC03080956