MMsINC Database Search


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MMsINC code: MMs02601459

Type: Neutral
Formula: C₁₄H₈F₂O₃

SMILES:

Fc1cc(F)ccc1C(=O)c1ccccc1C(O)=O

InChI:

InChI=1/C14H8F2O3/c15-8-5-6-11(12(16)7-8)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.2532 kcal/mol

Physical Properties
Molecular Weight: 262.211 g/mol	logS: -4.01705	SlogP: 2.894	Reactive groups: 0

Topological Properties
Globularity: 0.186169	Sterimol/B1: 2.62585	Sterimol/B2: 3.55687	Sterimol/B3: 4.5602
Sterimol/B4: 6.72113	Sterimol/L: 12.4066

Surface and Volume Properties
Accessible surface: 430.557	Positive charged surface: 200.099	Negative charged surface: 230.458	Volume: 218.375
Hydrophobic surface: 328.018	Hydrophilic surface: 102.539

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02601460
OTAVA-ZINC05553457