MMsINC Database Search


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MMsINC code: MMs01483958

Type: Neutral
Formula: C₁₅H₁₀F₂O₄

SMILES:

Fc1cc(ccc1F)C(=O)COC(=O)c1ccccc1O

InChI:

InChI=1/C15H10F2O4/c16-11-6-5-9(7-12(11)17)14(19)8-21-15(20)10-3-1-2-4-13(10)18/h1-7,18H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.4091 kcal/mol

Physical Properties
Molecular Weight: 292.237 g/mol	logS: -4.09387	SlogP: 2.7101	Reactive groups: 0

Topological Properties
Globularity: 0.0041107	Sterimol/B1: 2.31319	Sterimol/B2: 2.43572	Sterimol/B3: 2.54885
Sterimol/B4: 5.85634	Sterimol/L: 16.8234

Surface and Volume Properties
Accessible surface: 498.476	Positive charged surface: 243.967	Negative charged surface: 254.51	Volume: 248
Hydrophobic surface: 389.152	Hydrophilic surface: 109.324

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules: no related molecules available.