MMsINC Database Search


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MMsINC code: MMs02127009

Type: Neutral
Formula: C₁₄H₈F₅NO

SMILES:

Fc1cccc(F)c1C(=O)Nc1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C14H8F5NO/c15-10-5-2-6-11(16)12(10)13(21)20-9-4-1-3-8(7-9)14(17,18)19/h1-7H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.9158 kcal/mol

Physical Properties
Molecular Weight: 301.214 g/mol	logS: -5.00138	SlogP: 4.5474	Reactive groups: 0

Topological Properties
Globularity: 0.0551282	Sterimol/B1: 2.43062	Sterimol/B2: 2.4944	Sterimol/B3: 3.7087
Sterimol/B4: 6.08094	Sterimol/L: 14.5338

Surface and Volume Properties
Accessible surface: 471.031	Positive charged surface: 173.59	Negative charged surface: 297.441	Volume: 232.875
Hydrophobic surface: 330.717	Hydrophilic surface: 140.314

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.