MMsINC Database Search


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MMsINC code: MMs01482721

Type: Neutral
Formula: C₁₅H₁₀F₃NO₃

SMILES:

Fc1cc(F)ccc1NC(=O)COC(=O)c1ccc(F)cc1

InChI:

InChI=1/C15H10F3NO3/c16-10-3-1-9(2-4-10)15(21)22-8-14(20)19-13-6-5-11(17)7-12(13)18/h1-7H,8H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.0458 kcal/mol

Physical Properties
Molecular Weight: 309.243 g/mol	logS: -4.64798	SlogP: 2.8994	Reactive groups: 0

Topological Properties
Globularity: 0.012519	Sterimol/B1: 2.64277	Sterimol/B2: 2.74514	Sterimol/B3: 3.13935
Sterimol/B4: 5.30786	Sterimol/L: 17.0665

Surface and Volume Properties
Accessible surface: 517.634	Positive charged surface: 252.073	Negative charged surface: 265.561	Volume: 255.75
Hydrophobic surface: 437.116	Hydrophilic surface: 80.518

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules: no related molecules available.