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IBS-ZINC06659913

 MMsINC code: MMs01960250
Type: Neutral
Formula: C20H19F2N3O3
SMILES:   Fc1cc(F)ccc1NC(=O)CCCCCN1C(=O)c2c(NC1=O)cccc2
InChI:   InChI=1/C20H19F2N3O3/c21-13-9-10-17(15(22)12-13)23-18(26)8-2-1-5-11-25-19(27)14-6-3-4-7-16(14)24-20(25)28/h3-4,6-7,9-10,12H,1-2,5,8,11H2,(H,23,26)(H,24,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.4624 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.386 g/mol  logS: -4.90553  SlogP: 4.1516  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0465876  Sterimol/B1: 2.65479  Sterimol/B2: 2.76873  Sterimol/B3: 5.45998
  Sterimol/B4: 5.66831  Sterimol/L: 21.0337 
 
 Surface and Volume Properties
  Accessible surface: 645.443  Positive charged surface: 378.248  Negative charged surface: 267.195  Volume: 344.625
  Hydrophobic surface: 513.838  Hydrophilic surface: 131.605
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.