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IBS-ZINC05561959

 MMsINC code: MMs01956096
Type: Neutral
Formula: C21H17ClFNO3
SMILES:   Clc1cccc(F)c1CN1Cc2c3OC(=O)C4=C(CCC4)c3ccc2OC1
InChI:   InChI=1/C21H17ClFNO3/c22-17-5-2-6-18(23)15(17)9-24-10-16-19(26-11-24)8-7-13-12-3-1-4-14(12)21(25)27-20(13)16/h2,5-8H,1,3-4,9-11H2

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Potential Energy
Epot(MMFF94)=80.9768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.822 g/mol  logS: -6.10487  SlogP: 5.2205  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0475143  Sterimol/B1: 3.06142  Sterimol/B2: 4.40702  Sterimol/B3: 4.80004
  Sterimol/B4: 5.01152  Sterimol/L: 18.0847 
 
 Surface and Volume Properties
  Accessible surface: 590.994  Positive charged surface: 337.563  Negative charged surface: 253.431  Volume: 335.625
  Hydrophobic surface: 507.659  Hydrophilic surface: 83.335
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.