MMsINC Database Search


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

MMsINC code: MMs00053870

Type: Neutral
Formula: C₈H₉FO

SMILES:

Fc1ccccc1C(O)C

InChI:

InChI=1/C8H9FO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.8988 kcal/mol

Physical Properties
Molecular Weight: 140.157 g/mol	logS: -1.77809	SlogP: 1.9745	Reactive groups: 0

Topological Properties
Globularity: 0.115086	Sterimol/B1: 2.21779	Sterimol/B2: 3.46343	Sterimol/B3: 3.58154
Sterimol/B4: 4.07383	Sterimol/L: 10.0364

Surface and Volume Properties
Accessible surface: 320.41	Positive charged surface: 186.869	Negative charged surface: 133.541	Volume: 137.25
Hydrophobic surface: 253.581	Hydrophilic surface: 66.829

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.