MMsINC Database Search


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MMsINC code: MMs00752790

Type: Neutral
Formula: C₁₄H₁₀FNO₄

SMILES:

Fc1ccccc1C(=O)Nc1cc(C(O)=O)c(O)cc1

InChI:

InChI=1/C14H10FNO4/c15-11-4-2-1-3-9(11)13(18)16-8-5-6-12(17)10(7-8)14(19)20/h1-7,17H,(H,16,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.9643 kcal/mol

Physical Properties
Molecular Weight: 275.235 g/mol	logS: -3.2573	SlogP: 2.4818	Reactive groups: 0

Topological Properties
Globularity: 0.0209209	Sterimol/B1: 2.097	Sterimol/B2: 3.23982	Sterimol/B3: 3.38327
Sterimol/B4: 5.96525	Sterimol/L: 14.8167

Surface and Volume Properties
Accessible surface: 466.725	Positive charged surface: 252.963	Negative charged surface: 213.762	Volume: 234.25
Hydrophobic surface: 298.378	Hydrophilic surface: 168.347

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

MMs00752791
CHEMBRIDGE-ZINC03191947