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NCID-ZINC05104349

 MMsINC code: MMs02440688
Type: Neutral
Formula: C14H9Cl2NO
SMILES:   Clc1c2cc(OC)ccc2nc2c1cccc2Cl
InChI:   InChI=1/C14H9Cl2NO/c1-18-8-5-6-12-10(7-8)13(16)9-3-2-4-11(15)14(9)17-12/h2-7H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.2849 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.138 g/mol  logS: -5.33906  SlogP: 4.7034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00497837  Sterimol/B1: 2.37466  Sterimol/B2: 2.37544  Sterimol/B3: 4.9525
  Sterimol/B4: 5.42528  Sterimol/L: 14.371 
 
 Surface and Volume Properties
  Accessible surface: 458.195  Positive charged surface: 213.965  Negative charged surface: 233.159  Volume: 239.875
  Hydrophobic surface: 427.297  Hydrophilic surface: 30.898
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.