MMsINC Database Search


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

MMsINC code: MMs00608354

Type: Neutral
Formula: C₁₄H₁₁FO₃

SMILES:

Fc1ccc(OC(=O)c2ccc(OC)cc2)cc1

InChI:

InChI=1/C14H11FO3/c1-17-12-6-2-10(3-7-12)14(16)18-13-8-4-11(15)5-9-13/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.0011 kcal/mol

Physical Properties
Molecular Weight: 246.237 g/mol	logS: -3.8443	SlogP: 3.0535	Reactive groups: 0

Topological Properties
Globularity: 0.0479904	Sterimol/B1: 2.33592	Sterimol/B2: 3.12836	Sterimol/B3: 3.44605
Sterimol/B4: 4.84541	Sterimol/L: 16.4339

Surface and Volume Properties
Accessible surface: 465.036	Positive charged surface: 266.055	Negative charged surface: 198.98	Volume: 224.875
Hydrophobic surface: 423.651	Hydrophilic surface: 41.385

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.