MMsINC Database Search


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MMsINC code: MMs02993487

Type: Neutral
Formula: C₈H₄F₅NO

SMILES:

Fc1cc(NC(=O)C(F)(F)F)ccc1F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.1339 kcal/mol

Physical Properties
Molecular Weight: 225.116 g/mol	logS: -3.25992	SlogP: 2.8855	Reactive groups: 0

Topological Properties
Globularity: 0.0333715	Sterimol/B1: 2.60062	Sterimol/B2: 2.81084	Sterimol/B3: 2.82857
Sterimol/B4: 4.85085	Sterimol/L: 11.5011

Surface and Volume Properties
Accessible surface: 361.057	Positive charged surface: 113.206	Negative charged surface: 247.851	Volume: 155
Hydrophobic surface: 203.259	Hydrophilic surface: 157.798

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.