MMsINC Database Search


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

MMsINC code: MMs01569938

Type: Neutral
Formula: C₁₅H₁₃FO₄

SMILES:

Fc1ccccc1COC(=O)c1cc(OC)ccc1O

InChI:

InChI=1/C15H13FO4/c1-19-11-6-7-14(17)12(8-11)15(18)20-9-10-4-2-3-5-13(10)16/h2-8,17H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.7518 kcal/mol

Physical Properties
Molecular Weight: 276.263 g/mol	logS: -3.51792	SlogP: 3.1633	Reactive groups: 0

Topological Properties
Globularity: 0.00815819	Sterimol/B1: 2.36311	Sterimol/B2: 2.46499	Sterimol/B3: 2.57415
Sterimol/B4: 7.65661	Sterimol/L: 14.7064

Surface and Volume Properties
Accessible surface: 504.874	Positive charged surface: 303.849	Negative charged surface: 201.026	Volume: 252.125
Hydrophobic surface: 415.66	Hydrophilic surface: 89.214

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.