MMsINC Database Search


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MMsINC code: MMs02370522

Type: Ionized
Formula: C₁₁H₁₁FNO₃-

SMILES:

FCC(=O)NC(Cc1ccccc1)C(=O)[O-]

InChI:

InChI=1/C11H12FNO3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)/p-1/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.2921 kcal/mol

Physical Properties
Molecular Weight: 224.211 g/mol	logS: -2.17246	SlogP: -0.56673	Reactive groups: 1

Topological Properties
Globularity: 0.207934	Sterimol/B1: 3.36686	Sterimol/B2: 3.67989	Sterimol/B3: 4.6837
Sterimol/B4: 5.66082	Sterimol/L: 11.1094

Surface and Volume Properties
Accessible surface: 413.051	Positive charged surface: 214.683	Negative charged surface: 198.368	Volume: 204
Hydrophobic surface: 244.6	Hydrophilic surface: 168.451

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:

MMs02370521
NCID-ZINC01768371