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NCID-ZINC05208122

 MMsINC code: MMs02448852
Type: Neutral
Formula: C14H10Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1\C=N/NC(=O)c1ccc(O)cc1
InChI:   InChI=1/C14H10Cl2N2O2/c15-11-4-1-10(13(16)7-11)8-17-18-14(20)9-2-5-12(19)6-3-9/h1-8,19H,(H,18,20)/b17-8-

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Potential Energy
Epot(MMFF94)=103.979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.152 g/mol  logS: -4.64478  SlogP: 3.4629  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0290337  Sterimol/B1: 2.86996  Sterimol/B2: 3.43071  Sterimol/B3: 3.50059
  Sterimol/B4: 6.93927  Sterimol/L: 14.0987 
 
 Surface and Volume Properties
  Accessible surface: 503.718  Positive charged surface: 208.574  Negative charged surface: 295.144  Volume: 258.5
  Hydrophobic surface: 370.438  Hydrophilic surface: 133.28
 
 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: no related molecules available.