MMsINC Database Search


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

MMsINC code: MMs02550261

Type: Ionized
Formula: C₁₅H₉F₂O₃-

SMILES:

Fc1cc(Oc2cc(ccc2)\C=C\C(=O)[O-])ccc1F

InChI:

InChI=1/C15H10F2O3/c16-13-6-5-12(9-14(13)17)20-11-3-1-2-10(8-11)4-7-15(18)19/h1-9H,(H,18,19)/p-1/b7-4+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.6605 kcal/mol

Physical Properties
Molecular Weight: 275.23 g/mol	logS: -4.49322	SlogP: 2.5202	Reactive groups: 0

Topological Properties
Globularity: 0.0897353	Sterimol/B1: 2.44571	Sterimol/B2: 3.74027	Sterimol/B3: 4.12244
Sterimol/B4: 7.83063	Sterimol/L: 14.6777

Surface and Volume Properties
Accessible surface: 484.156	Positive charged surface: 210.466	Negative charged surface: 273.691	Volume: 239.625
Hydrophobic surface: 374.226	Hydrophilic surface: 109.93

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:

MMs02550260
OAKWOOD-ZINC04255280