MMsINC Database Search


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MMsINC code: MMs00023713

Type: Neutral
Formula: C₇H₃F₆N

SMILES:

FC(F)(F)c1nc(ccc1)C(F)(F)F

InChI:

InChI=1/C7H3F6N/c8-6(9,10)4-2-1-3-5(14-4)7(11,12)13/h1-3H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.0999 kcal/mol

Physical Properties
Molecular Weight: 215.096 g/mol	logS: -2.54568	SlogP: 3.7422	Reactive groups: 0

Topological Properties
Globularity: 0.0684083	Sterimol/B1: 2.56475	Sterimol/B2: 2.69007	Sterimol/B3: 2.81669
Sterimol/B4: 5.73438	Sterimol/L: 9.6548

Surface and Volume Properties
Accessible surface: 335.686	Positive charged surface: 76.26	Negative charged surface: 259.426	Volume: 141.375
Hydrophobic surface: 115.997	Hydrophilic surface: 219.689

Pharmacophoric Properties
Hydrogen bond donors: 0	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.