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MMsINC code: MMs01334926

Type: Neutral
Formula: C₁₂H₁₃FNO₃-

SMILES:

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

InChI:

InChI=1/C12H14FNO3/c1-7(2)10(12(16)17)14-11(15)8-5-3-4-6-9(8)13/h3-7,10H,1-2H3,(H,14,15)(H,16,17)/p-1/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.8839 kcal/mol

Physical Properties
Molecular Weight: 238.238 g/mol	logS: -2.81303	SlogP: 0.33	Reactive groups: 0

Topological Properties
Globularity: 0.135234	Sterimol/B1: 2.36943	Sterimol/B2: 3.06294	Sterimol/B3: 4.63466
Sterimol/B4: 6.14596	Sterimol/L: 13.2386

Surface and Volume Properties
Accessible surface: 436.154	Positive charged surface: 227.169	Negative charged surface: 208.985	Volume: 219.875
Hydrophobic surface: 296.594	Hydrophilic surface: 139.56

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

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Ions/Tautomers related molecules

MMs01334927
ENAMINE-ZINC03258181