MMsINC Database Search


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

MMsINC code: MMs02147474

Type: Ionized
Formula: C₁₁H₁₁FNO₃-

SMILES:

Fc1ccc(NC(=O)CCCC(=O)[O-])cc1

InChI:

InChI=1/C11H12FNO3/c12-8-4-6-9(7-5-8)13-10(14)2-1-3-11(15)16/h4-7H,1-3H2,(H,13,14)(H,15,16)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.3838 kcal/mol

Physical Properties
Molecular Weight: 224.211 g/mol	logS: -2.10385	SlogP: 0.6844	Reactive groups: 0

Topological Properties
Globularity: 0.0129631	Sterimol/B1: 2.36856	Sterimol/B2: 2.37376	Sterimol/B3: 2.76276
Sterimol/B4: 4.891	Sterimol/L: 15.9919

Surface and Volume Properties
Accessible surface: 437.297	Positive charged surface: 230.956	Negative charged surface: 206.341	Volume: 203
Hydrophobic surface: 294.851	Hydrophilic surface: 142.446

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	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:

Parent related molecule:

MMs02147473
MAYBRIDGE-ZINC00240351