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CHEMDIV-ZINC04881028

 MMsINC code: MMs00960270
Type: Neutral
Formula: C17H12Cl2N2O3
SMILES:   Clc1cc(NC(=O)c2noc(c2)-c2cc(Cl)ccc2)c(OC)cc1
InChI:   InChI=1/C17H12Cl2N2O3/c1-23-15-6-5-12(19)8-13(15)20-17(22)14-9-16(24-21-14)10-3-2-4-11(18)7-10/h2-9H,1H3,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.6234 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.2 g/mol  logS: -6.06828  SlogP: 4.9093  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00954479  Sterimol/B1: 2.53593  Sterimol/B2: 2.53908  Sterimol/B3: 3.11323
  Sterimol/B4: 8.56264  Sterimol/L: 17.6402 
 
 Surface and Volume Properties
  Accessible surface: 594.924  Positive charged surface: 277.504  Negative charged surface: 317.42  Volume: 306.75
  Hydrophobic surface: 516.191  Hydrophilic surface: 78.733
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.