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MMsINC code: MMs02893339

Type: Neutral
Formula: C₁₃H₂₀F₃N₃O₄

SMILES:

FC(F)(F)C(=O)NCCCCC(N)C(=O)N1CCCC1C(O)=O

InChI:

InChI=1/C13H20F3N3O4/c14-13(15,16)12(23)18-6-2-1-4-8(17)10(20)19-7-3-5-9(19)11(21)22/h8-9H,1-7,17H2,(H,18,23)(H,21,22)/t8-,9+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.4057 kcal/mol

Physical Properties
Molecular Weight: 339.314 g/mol	logS: -1.75757	SlogP: 0.658	Reactive groups: 0

Topological Properties
Globularity: 0.042798	Sterimol/B1: 2.20287	Sterimol/B2: 2.99047	Sterimol/B3: 3.63437
Sterimol/B4: 7.25774	Sterimol/L: 18.5591

Surface and Volume Properties
Accessible surface: 569.558	Positive charged surface: 333.321	Negative charged surface: 236.238	Volume: 285
Hydrophobic surface: 251.283	Hydrophilic surface: 318.275

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.