MMsINC Database Search


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MMsINC code: MMs02184063

Type: Neutral
Formula: C₁₄H₁₂F₂O₂

SMILES:

Fc1ccc(cc1)C(O)C(O)c1ccc(F)cc1

InChI:

InChI=1/C14H12F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13-14,17-18H/t13-,14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0144 kcal/mol

Physical Properties
Molecular Weight: 250.244 g/mol	logS: -3.31122	SlogP: 2.9228	Reactive groups: 0

Topological Properties
Globularity: 0.0385548	Sterimol/B1: 2.43907	Sterimol/B2: 2.88924	Sterimol/B3: 3.54277
Sterimol/B4: 4.88483	Sterimol/L: 14.8014

Surface and Volume Properties
Accessible surface: 441.239	Positive charged surface: 209.855	Negative charged surface: 231.384	Volume: 223.875
Hydrophobic surface: 382.909	Hydrophilic surface: 58.33

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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: no related molecules available.