MMsINC Database Search


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MMsINC code: MMs03523441

Type: Neutral
Formula: C₁₅H₁₁F₅O

SMILES:

Fc1c(COc2ccc(cc2C)C)c(F)c(F)c(F)c1F

InChI:

InChI=1/C15H11F5O/c1-7-3-4-10(8(2)5-7)21-6-9-11(16)13(18)15(20)14(19)12(9)17/h3-5H,6H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.3453 kcal/mol

Physical Properties
Molecular Weight: 302.242 g/mol	logS: -5.31245	SlogP: 4.84434	Reactive groups: 0

Topological Properties
Globularity: 0.0804689	Sterimol/B1: 3.37072	Sterimol/B2: 3.86396	Sterimol/B3: 3.86876
Sterimol/B4: 5.23253	Sterimol/L: 15.2876

Surface and Volume Properties
Accessible surface: 494.797	Positive charged surface: 233.825	Negative charged surface: 260.972	Volume: 247.75
Hydrophobic surface: 490.906	Hydrophilic surface: 3.891

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.