MMsINC Database Search


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MMsINC code: MMs02109038

Type: Neutral
Formula: C₁₂H₉FO

SMILES:

Fc1cc(O)ccc1-c1ccccc1

InChI:

InChI=1/C12H9FO/c13-12-8-10(14)6-7-11(12)9-4-2-1-3-5-9/h1-8,14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.1085 kcal/mol

Physical Properties
Molecular Weight: 188.201 g/mol	logS: -3.74429	SlogP: 3.1983	Reactive groups: 0

Topological Properties
Globularity: 0.0503347	Sterimol/B1: 2.59492	Sterimol/B2: 2.7417	Sterimol/B3: 3.40991
Sterimol/B4: 3.71266	Sterimol/L: 12.7227

Surface and Volume Properties
Accessible surface: 383.147	Positive charged surface: 197.891	Negative charged surface: 180.182	Volume: 179.875
Hydrophobic surface: 331.416	Hydrophilic surface: 51.731

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.