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MMsINC code: MMs03098625

Type: Neutral
Formula: C₁₀H₁₀FNO₃

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)/t6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.8365 kcal/mol

Physical Properties
Molecular Weight: 211.192 g/mol	logS: -2.14904	SlogP: 1.0286	Reactive groups: 0

Topological Properties
Globularity: 0.0561175	Sterimol/B1: 2.28794	Sterimol/B2: 3.01073	Sterimol/B3: 3.63024
Sterimol/B4: 4.90143	Sterimol/L: 12.9538

Surface and Volume Properties
Accessible surface: 398.068	Positive charged surface: 215.877	Negative charged surface: 182.191	Volume: 185.25
Hydrophobic surface: 252.765	Hydrophilic surface: 145.303

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

MMs03098626
PUBCHEM-ZINC04201404