MMsINC Database Search


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MMsINC code: MMs00052575

Type: Neutral
Formula: C₇H₇FO₂

SMILES:

Fc1cc(O)c(OC)cc1

InChI:

InChI=1/C7H7FO2/c1-10-7-3-2-5(8)4-6(7)9/h2-4,9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.8148 kcal/mol

Physical Properties
Molecular Weight: 142.129 g/mol	logS: -1.36829	SlogP: 1.5399	Reactive groups: 0

Topological Properties
Globularity: 0.0295234	Sterimol/B1: 2.32728	Sterimol/B2: 2.41819	Sterimol/B3: 4.11562
Sterimol/B4: 4.31205	Sterimol/L: 10.0412

Surface and Volume Properties
Accessible surface: 311.264	Positive charged surface: 198.64	Negative charged surface: 112.624	Volume: 126.5
Hydrophobic surface: 252.823	Hydrophilic surface: 58.441

Pharmacophoric Properties
Hydrogen bond donors: 1	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.