MMsINC Database Search


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MMsINC code: MMs02544282

Type: Neutral
Formula: C₈H₉FO₂

SMILES:

Fc1cccc(OC)c1OC

InChI:

InChI=1/C8H9FO2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.8864 kcal/mol

Physical Properties
Molecular Weight: 156.156 g/mol	logS: -1.78062	SlogP: 1.8429	Reactive groups: 0

Topological Properties
Globularity: 0.0638842	Sterimol/B1: 2.484	Sterimol/B2: 2.50459	Sterimol/B3: 2.8695
Sterimol/B4: 6.12657	Sterimol/L: 8.84593

Surface and Volume Properties
Accessible surface: 337.564	Positive charged surface: 242.331	Negative charged surface: 95.2331	Volume: 146.375
Hydrophobic surface: 322.483	Hydrophilic surface: 15.081

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.