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MAYBRIDGE-ZINC01048965

 MMsINC code: MMs02157758
Type: Neutral
Formula: C17H10Cl2FNO2
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(=O)c1ccc(F)cc1
InChI:   InChI=1/C17H10Cl2FNO2/c1-9-14(17(22)10-5-7-11(20)8-6-10)16(21-23-9)15-12(18)3-2-4-13(15)19/h2-8H,1H3

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Potential Energy
Epot(MMFF94)=88.3736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.176 g/mol  logS: -6.57617  SlogP: 5.32692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.290492  Sterimol/B1: 2.56451  Sterimol/B2: 4.69609  Sterimol/B3: 4.74822
  Sterimol/B4: 8.83277  Sterimol/L: 11.2301 
 
 Surface and Volume Properties
  Accessible surface: 511.861  Positive charged surface: 196.355  Negative charged surface: 315.506  Volume: 291.375
  Hydrophobic surface: 477.47  Hydrophilic surface: 34.391
 
 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.