MMsINC Database Search


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MMsINC code: MMs02550260

Type: Neutral
Formula: C₁₅H₁₀F₂O₃

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)/b7-4+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.5914 kcal/mol

Physical Properties
Molecular Weight: 276.238 g/mol	logS: -4.23277	SlogP: 3.8549	Reactive groups: 0

Topological Properties
Globularity: 0.0657168	Sterimol/B1: 2.38647	Sterimol/B2: 3.04148	Sterimol/B3: 3.88972
Sterimol/B4: 6.97769	Sterimol/L: 15.4265

Surface and Volume Properties
Accessible surface: 485.459	Positive charged surface: 224.64	Negative charged surface: 260.819	Volume: 239.125
Hydrophobic surface: 381.59	Hydrophilic surface: 103.869

Pharmacophoric Properties
Hydrogen bond donors: 2	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

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Ions/Tautomers related molecules

MMs02550261
OAKWOOD-ZINC04255280