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OAKWOOD-ZINC01126437

 MMsINC code: MMs02543129
Type: Neutral
Formula: C10H5Cl2NO3
SMILES:   Clc1cc(Cl)ccc1-c1onc(c1)C(O)=O
InChI:   InChI=1/C10H5Cl2NO3/c11-5-1-2-6(7(12)3-5)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15)

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Potential Energy
Epot(MMFF94)=52.1148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.06 g/mol  logS: -4.01731  SlogP: 3.3466  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0260541  Sterimol/B1: 2.47921  Sterimol/B2: 2.63307  Sterimol/B3: 3.1115
  Sterimol/B4: 5.59109  Sterimol/L: 14.7661 
 
 Surface and Volume Properties
  Accessible surface: 420.855  Positive charged surface: 148.752  Negative charged surface: 272.104  Volume: 196.875
  Hydrophobic surface: 280.408  Hydrophilic surface: 140.447
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02543130
OAKWOOD-ZINC01126437