MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02862763

Type: Neutral
Formula: C₈H₉FO

SMILES:

FCC(O)c1ccccc1

InChI:

InChI=1/C8H9FO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.7328 kcal/mol

Physical Properties
Molecular Weight: 140.157 g/mol	logS: -1.47959	SlogP: 1.785	Reactive groups: 1

Topological Properties
Globularity: 0.112668	Sterimol/B1: 2.68969	Sterimol/B2: 3.24362	Sterimol/B3: 3.58557
Sterimol/B4: 3.80735	Sterimol/L: 10.3416

Surface and Volume Properties
Accessible surface: 319.313	Positive charged surface: 173.082	Negative charged surface: 146.231	Volume: 136.25
Hydrophobic surface: 240.933	Hydrophilic surface: 78.38

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.