MMsINC Database Search


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MMsINC code: MMs00051759

Type: Neutral
Formula: C₈H₄F₅NO

SMILES:

Fc1cc(C(F)(F)F)c(F)cc1C(=O)N

InChI:

InChI=1/C8H4F5NO/c9-5-2-4(8(11,12)13)6(10)1-3(5)7(14)15/h1-2H,(H2,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.9528 kcal/mol

Physical Properties
Molecular Weight: 225.116 g/mol	logS: -3.28351	SlogP: 2.394	Reactive groups: 0

Topological Properties
Globularity: 0.0222323	Sterimol/B1: 2.63719	Sterimol/B2: 2.63895	Sterimol/B3: 2.8982
Sterimol/B4: 5.13989	Sterimol/L: 10.914

Surface and Volume Properties
Accessible surface: 340.514	Positive charged surface: 115.322	Negative charged surface: 225.192	Volume: 154
Hydrophobic surface: 141.143	Hydrophilic surface: 199.371

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.