MMsINC Database Search


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

MMsINC code: MMs02226421

Type: Neutral
Formula: C₁₁H₉FO₄

SMILES:

Fc1ccccc1C1OC(=O)CC1C(O)=O

InChI:

InChI=1/C11H9FO4/c12-8-4-2-1-3-6(8)10-7(11(14)15)5-9(13)16-10/h1-4,7,10H,5H2,(H,14,15)/t7-,10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.1666 kcal/mol

Physical Properties
Molecular Weight: 224.187 g/mol	logS: -1.84467	SlogP: 1.61	Reactive groups: 0

Topological Properties
Globularity: 0.230925	Sterimol/B1: 2.36001	Sterimol/B2: 3.21435	Sterimol/B3: 4.16365
Sterimol/B4: 5.28817	Sterimol/L: 11.2947

Surface and Volume Properties
Accessible surface: 376.494	Positive charged surface: 201.635	Negative charged surface: 174.859	Volume: 188.5
Hydrophobic surface: 243.285	Hydrophilic surface: 133.209

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02226422
NCID-ZINC01564804