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MMsINC code: MMs02147473

Type: Neutral
Formula: C₁₁H₁₂FNO₃

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)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.5323 kcal/mol

Physical Properties
Molecular Weight: 225.219 g/mol	logS: -1.8434	SlogP: 2.0191	Reactive groups: 0

Topological Properties
Globularity: 0.0224391	Sterimol/B1: 2.4258	Sterimol/B2: 3.07104	Sterimol/B3: 3.10696
Sterimol/B4: 4.6706	Sterimol/L: 15.7222

Surface and Volume Properties
Accessible surface: 441.598	Positive charged surface: 262.16	Negative charged surface: 179.438	Volume: 205.375
Hydrophobic surface: 300.946	Hydrophilic surface: 140.652

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	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

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Ions/Tautomers related molecules

MMs02147474
MAYBRIDGE-ZINC00240351