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MMsINC code: MMs02344771

Type: Neutral
Formula: C₉H₇F₂NO₃

SMILES:

Fc1cc(cc(F)c1N(C=O)C)C(O)=O

InChI:

InChI=1/C9H7F2NO3/c1-12(4-13)8-6(10)2-5(9(14)15)3-7(8)11/h2-4H,1H3,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.6241 kcal/mol

Physical Properties
Molecular Weight: 215.155 g/mol	logS: -1.93662	SlogP: 1.2556	Reactive groups: 0

Topological Properties
Globularity: 0.101834	Sterimol/B1: 2.26058	Sterimol/B2: 3.75582	Sterimol/B3: 3.98128
Sterimol/B4: 4.83538	Sterimol/L: 12.225

Surface and Volume Properties
Accessible surface: 379.192	Positive charged surface: 213.348	Negative charged surface: 165.844	Volume: 173
Hydrophobic surface: 228.136	Hydrophilic surface: 151.056

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02344772
NCID-ZINC01719664