MMsINC Database Search


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MMsINC code: MMs00022983

Type: Neutral
Formula: C₈H₉FO

SMILES:

Fc1cc(ccc1C)CO

InChI:

InChI=1/C8H9FO/c1-6-2-3-7(5-10)4-8(6)9/h2-4,10H,5H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.5871 kcal/mol

Physical Properties
Molecular Weight: 140.157 g/mol	logS: -1.61135	SlogP: 1.89282	Reactive groups: 0

Topological Properties
Globularity: 0.0479135	Sterimol/B1: 2.48602	Sterimol/B2: 2.71365	Sterimol/B3: 3.60344
Sterimol/B4: 3.87744	Sterimol/L: 10.574

Surface and Volume Properties
Accessible surface: 327.615	Positive charged surface: 196.216	Negative charged surface: 131.398	Volume: 137.25
Hydrophobic surface: 263.867	Hydrophilic surface: 63.748

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.