MMsINC Database Search


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MMsINC code: MMs00020928

Type: Neutral
Formula: C₈H₈F₂O₂

SMILES:

Fc1cc(OC)c(F)cc1OC

InChI:

InChI=1/C8H8F2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.4388 kcal/mol

Physical Properties
Molecular Weight: 174.146 g/mol	logS: -2.0756	SlogP: 1.982	Reactive groups: 0

Topological Properties
Globularity: 0.0217955	Sterimol/B1: 2.37523	Sterimol/B2: 2.37684	Sterimol/B3: 4.12063
Sterimol/B4: 4.29212	Sterimol/L: 12.117

Surface and Volume Properties
Accessible surface: 345.203	Positive charged surface: 232.302	Negative charged surface: 112.902	Volume: 148.375
Hydrophobic surface: 327.69	Hydrophilic surface: 17.513

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.