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ENAMINE-ZINC00985434

 MMsINC code: MMs01237095
Type: Neutral
Formula: C23H10ClF3N2O4
SMILES:   Clc1c(N2C(=O)c3c(cccc3)C2=O)cc(cc1N1C(=O)c2c(cccc2)C1=O)C(F)
(F)F
InChI:   InChI=1/C23H10ClF3N2O4/c24-18-16(28-19(30)12-5-1-2-6-13(12)20(28)31)9-11(23(25,26)27)10-17(18)29-21(32)14-7-3-4-8-15(14)22(29)33/h1-10H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=141.717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.79 g/mol  logS: -7.92314  SlogP: 5.2715  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.090794  Sterimol/B1: 2.09745  Sterimol/B2: 3.30717  Sterimol/B3: 4.68875
  Sterimol/B4: 8.53389  Sterimol/L: 17.3724 
 
 Surface and Volume Properties
  Accessible surface: 662.802  Positive charged surface: 239.577  Negative charged surface: 423.226  Volume: 367.125
  Hydrophobic surface: 422.817  Hydrophilic surface: 239.985
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.