MMsINC Database Search


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MMsINC code: MMs02544747

Type: Neutral
Formula: C₁₃H₈F₂O₂

SMILES:

Fc1cc(F)ccc1-c1ccc(cc1)C(O)=O

InChI:

InChI=1/C13H8F2O2/c14-10-5-6-11(12(15)7-10)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.976 kcal/mol

Physical Properties
Molecular Weight: 234.201 g/mol	logS: -4.37062	SlogP: 3.33	Reactive groups: 0

Topological Properties
Globularity: 0.0366909	Sterimol/B1: 2.12334	Sterimol/B2: 2.44037	Sterimol/B3: 3.16292
Sterimol/B4: 4.65436	Sterimol/L: 14.3255

Surface and Volume Properties
Accessible surface: 414.281	Positive charged surface: 196.212	Negative charged surface: 212.782	Volume: 201.875
Hydrophobic surface: 320.35	Hydrophilic surface: 93.931

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

MMs02544748
OAKWOOD-ZINC02528960