MMsINC Database Search


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MMsINC code: MMs01275059

Type: Neutral
Formula: C₁₃H₇F₄NO

SMILES:

Fc1c(F)c(F)ccc1NC(=O)c1ccc(F)cc1

InChI:

InChI=1/C13H7F4NO/c14-8-3-1-7(2-4-8)13(19)18-10-6-5-9(15)11(16)12(10)17/h1-6H,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.4346 kcal/mol

Physical Properties
Molecular Weight: 269.197 g/mol	logS: -4.53479	SlogP: 3.4953	Reactive groups: 0

Topological Properties
Globularity: 0.014837	Sterimol/B1: 2.13504	Sterimol/B2: 2.47188	Sterimol/B3: 2.88801
Sterimol/B4: 5.24522	Sterimol/L: 14.7981

Surface and Volume Properties
Accessible surface: 433.53	Positive charged surface: 180.385	Negative charged surface: 253.145	Volume: 212.375
Hydrophobic surface: 399.735	Hydrophilic surface: 33.795

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.