MMsINC Database Search


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MMsINC code: MMs00024063

Type: Neutral
Formula: C₇H₅F₃O

SMILES:

Fc1c(F)c(F)ccc1CO

InChI:

InChI=1/C7H5F3O/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2,11H,3H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.5343 kcal/mol

Physical Properties
Molecular Weight: 162.11 g/mol	logS: -2.04084	SlogP: 1.8626	Reactive groups: 0

Topological Properties
Globularity: 0.0233824	Sterimol/B1: 2.37455	Sterimol/B2: 2.37556	Sterimol/B3: 2.72532
Sterimol/B4: 5.12536	Sterimol/L: 10.0057

Surface and Volume Properties
Accessible surface: 303.402	Positive charged surface: 152.002	Negative charged surface: 151.4	Volume: 125.75
Hydrophobic surface: 247.068	Hydrophilic surface: 56.334

Pharmacophoric Properties
Hydrogen bond donors: 1	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.