MMsINC Database Search


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MMsINC code: MMs00007955

Type: Neutral
Formula: C₇H₆F₂O

SMILES:

Fc1ccc(F)cc1CO

InChI:

InChI=1/C7H6F2O/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.7715 kcal/mol

Physical Properties
Molecular Weight: 144.12 g/mol	logS: -1.74586	SlogP: 1.7235	Reactive groups: 0

Topological Properties
Globularity: 0.0242099	Sterimol/B1: 2.37415	Sterimol/B2: 2.37595	Sterimol/B3: 3.8427
Sterimol/B4: 4.19827	Sterimol/L: 9.71421

Surface and Volume Properties
Accessible surface: 297.345	Positive charged surface: 159.486	Negative charged surface: 137.859	Volume: 123.75
Hydrophobic surface: 242.538	Hydrophilic surface: 54.807

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.