MMsINC Database Search


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MMsINC code: MMs00044123

Type: Neutral
Formula: C₈H₃F₄N

SMILES:

Fc1c(F)c(F)c2[nH]ccc2c1F

InChI:

InChI=1/C8H3F4N/c9-4-3-1-2-13-8(3)7(12)6(11)5(4)10/h1-2,13H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.6691 kcal/mol

Physical Properties
Molecular Weight: 189.111 g/mol	logS: -2.8547	SlogP: 2.7243	Reactive groups: 0

Topological Properties
Globularity: 1.92622e-07	Sterimol/B1: 2.09713	Sterimol/B2: 2.09823	Sterimol/B3: 3.167
Sterimol/B4: 5.31674	Sterimol/L: 9.78916

Surface and Volume Properties
Accessible surface: 318.685	Positive charged surface: 121.124	Negative charged surface: 192.548	Volume: 136
Hydrophobic surface: 265.305	Hydrophilic surface: 53.38

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.