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AURORAFEINCHEMIE-ZINC02551951

 MMsINC code: MMs00454425
Type: Neutral
Formula: C16H11Cl2NO
SMILES:   Clc1c2cc(OC)ccc2nc(Cl)c1-c1ccccc1
InChI:   InChI=1/C16H11Cl2NO/c1-20-11-7-8-13-12(9-11)15(17)14(16(18)19-13)10-5-3-2-4-6-10/h2-9H,1H3

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Potential Energy
Epot(MMFF94)=78.4857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.176 g/mol  logS: -6.23002  SlogP: 5.2172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0414787  Sterimol/B1: 3.0136  Sterimol/B2: 3.26439  Sterimol/B3: 3.44797
  Sterimol/B4: 5.90259  Sterimol/L: 15.8566 
 
 Surface and Volume Properties
  Accessible surface: 502.203  Positive charged surface: 253.767  Negative charged surface: 241.629  Volume: 268.125
  Hydrophobic surface: 464.93  Hydrophilic surface: 37.273
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.