MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02201577

Type: Neutral
Formula: C₈H₃F₅O₃

SMILES:

Fc1c(C(O)C(O)=O)c(F)c(F)c(F)c1F

InChI:

InChI=1/C8H3F5O3/c9-2-1(7(14)8(15)16)3(10)5(12)6(13)4(2)11/h7,14H,(H,15,16)/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.2769 kcal/mol

Physical Properties
Molecular Weight: 242.099 g/mol	logS: -2.62664	SlogP: 1.5956	Reactive groups: 0

Topological Properties
Globularity: 0.186089	Sterimol/B1: 2.9914	Sterimol/B2: 3.80289	Sterimol/B3: 3.87045
Sterimol/B4: 4.01575	Sterimol/L: 10.2868

Surface and Volume Properties
Accessible surface: 348.824	Positive charged surface: 131.294	Negative charged surface: 217.53	Volume: 155.625
Hydrophobic surface: 219.167	Hydrophilic surface: 129.657

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules

MMs02201578
NANOSIN-ZINC02025526