MMsINC Database Search


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

MMsINC code: MMs03950250

Type: Ionized
Formula: C₁₃H₇F₂O₂-

SMILES:

Fc1cc(ccc1F)-c1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C13H8F2O2/c14-11-6-5-10(7-12(11)15)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.5245 kcal/mol

Physical Properties
Molecular Weight: 233.193 g/mol	logS: -4.63107	SlogP: 1.9953	Reactive groups: 0

Topological Properties
Globularity: 0.0462007	Sterimol/B1: 2.13566	Sterimol/B2: 2.49471	Sterimol/B3: 3.18318
Sterimol/B4: 4.52263	Sterimol/L: 13.8579

Surface and Volume Properties
Accessible surface: 417.245	Positive charged surface: 167.123	Negative charged surface: 245.76	Volume: 201.625
Hydrophobic surface: 326.501	Hydrophilic surface: 90.744

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs03950249
TYGER-ZINC02513039