MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02128217

Type: Neutral
Formula: C₁₄H₁₅F₃O₃

SMILES:

FC(F)(F)c1ccc(cc1)C(=O)COC(=O)C(C)(C)C

InChI:

InChI=1/C14H15F3O3/c1-13(2,3)12(19)20-8-11(18)9-4-6-10(7-5-9)14(15,16)17/h4-7H,8H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.8482 kcal/mol

Physical Properties
Molecular Weight: 288.265 g/mol	logS: -3.76718	SlogP: 3.7889	Reactive groups: 0

Topological Properties
Globularity: 0.039696	Sterimol/B1: 2.41373	Sterimol/B2: 3.62397	Sterimol/B3: 3.62434
Sterimol/B4: 5.27136	Sterimol/L: 16.0964

Surface and Volume Properties
Accessible surface: 515.06	Positive charged surface: 250.237	Negative charged surface: 264.824	Volume: 251
Hydrophobic surface: 295.563	Hydrophilic surface: 219.497

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.