MMsINC Database Search


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

MMsINC code: MMs00020826

Type: Neutral
Formula: C₈H₇FO₂

SMILES:

Fc1ccc(cc1)C(OC)=O

InChI:

InChI=1/C8H7FO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.7999 kcal/mol

Physical Properties
Molecular Weight: 154.14 g/mol	logS: -2.06159	SlogP: 1.6123	Reactive groups: 0

Topological Properties
Globularity: 0.0130205	Sterimol/B1: 2.37446	Sterimol/B2: 2.37565	Sterimol/B3: 3.62187
Sterimol/B4: 3.99831	Sterimol/L: 11.3621

Surface and Volume Properties
Accessible surface: 330.153	Positive charged surface: 196.344	Negative charged surface: 133.809	Volume: 139
Hydrophobic surface: 289.749	Hydrophilic surface: 40.404

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.