MMsINC Database Search


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MMsINC code: MMs02138906

Type: Neutral
Formula: C₁₅H₁₀F₂O₃

SMILES:

Fc1cccc(F)c1C(Oc1ccccc1C(=O)C)=O

InChI:

InChI=1/C15H10F2O3/c1-9(18)10-5-2-3-8-13(10)20-15(19)14-11(16)6-4-7-12(14)17/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.8874 kcal/mol

Physical Properties
Molecular Weight: 276.238 g/mol	logS: -4.40117	SlogP: 3.3866	Reactive groups: 0

Topological Properties
Globularity: 0.0183043	Sterimol/B1: 2.44714	Sterimol/B2: 2.50475	Sterimol/B3: 3.28284
Sterimol/B4: 7.66876	Sterimol/L: 14.0148

Surface and Volume Properties
Accessible surface: 462.664	Positive charged surface: 232.437	Negative charged surface: 230.227	Volume: 240.75
Hydrophobic surface: 414.531	Hydrophilic surface: 48.133

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.