MMsINC Database Search


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MMsINC code: MMs00051821

Type: Neutral
Formula: C₇H₆F₂O

SMILES:

Fc1c(F)c(O)ccc1C

InChI:

InChI=1/C7H6F2O/c1-4-2-3-5(10)7(9)6(4)8/h2-3,10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.0035 kcal/mol

Physical Properties
Molecular Weight: 144.12 g/mol	logS: -1.77336	SlogP: 1.97882	Reactive groups: 0

Topological Properties
Globularity: 0.0321305	Sterimol/B1: 2.0247	Sterimol/B2: 2.49334	Sterimol/B3: 3.64148
Sterimol/B4: 3.85829	Sterimol/L: 9.37694

Surface and Volume Properties
Accessible surface: 301.397	Positive charged surface: 156.512	Negative charged surface: 144.885	Volume: 121.75
Hydrophobic surface: 251.38	Hydrophilic surface: 50.017

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.