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IFLAB-ZINC04243201

 MMsINC code: MMs02028359
Type: Neutral
Formula: C10H6Cl2N2O2
SMILES:   Clc1n(nc(Cl)c1C(O)=O)-c1ccccc1
InChI:   InChI=1/C10H6Cl2N2O2/c11-8-7(10(15)16)9(12)14(13-8)6-4-2-1-3-5-6/h1-5H,(H,15,16)

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Potential Energy
Epot(MMFF94)=48.4511 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.076 g/mol  logS: -3.59929  SlogP: 2.8773  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0406957  Sterimol/B1: 2.85833  Sterimol/B2: 3.17316  Sterimol/B3: 3.93348
  Sterimol/B4: 4.91442  Sterimol/L: 12.9785 
 
 Surface and Volume Properties
  Accessible surface: 427.108  Positive charged surface: 137.918  Negative charged surface: 289.19  Volume: 204.875
  Hydrophobic surface: 312.625  Hydrophilic surface: 114.483
 
 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


MMs02028360
IFLAB-ZINC04243201