MMsINC Database Search


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MMsINC code: MMs03098624

Type: Ionized
Formula: C₁₀H₉FNO₃-

SMILES:

Fc1ccccc1C(=O)NC(C(=O)[O-])C

InChI:

InChI=1/C10H10FNO3/c1-6(10(14)15)12-9(13)7-4-2-3-5-8(7)11/h2-6H,1H3,(H,12,13)(H,14,15)/p-1/t6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.7326 kcal/mol

Physical Properties
Molecular Weight: 210.184 g/mol	logS: -2.40949	SlogP: -0.3061	Reactive groups: 0

Topological Properties
Globularity: 0.0850379	Sterimol/B1: 2.12197	Sterimol/B2: 3.77016	Sterimol/B3: 4.15763
Sterimol/B4: 4.39368	Sterimol/L: 12.7292

Surface and Volume Properties
Accessible surface: 397.627	Positive charged surface: 191.295	Negative charged surface: 206.332	Volume: 184.375
Hydrophobic surface: 259.271	Hydrophilic surface: 138.356

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

Parent related molecule:

MMs03098623
PUBCHEM-ZINC04201403