MMsINC Database Search


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MMsINC code: MMs00080130

Type: Neutral
Formula: C₁₄H₁₀FNO₃

SMILES:

Fc1ccccc1C(=O)Nc1ccccc1C(O)=O

InChI:

InChI=1/C14H10FNO3/c15-11-7-3-1-5-9(11)13(17)16-12-8-4-2-6-10(12)14(18)19/h1-8H,(H,16,17)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.4562 kcal/mol

Physical Properties
Molecular Weight: 259.236 g/mol	logS: -3.61925	SlogP: 2.7762	Reactive groups: 0

Topological Properties
Globularity: 0.0146021	Sterimol/B1: 2.40899	Sterimol/B2: 2.64497	Sterimol/B3: 3.4435
Sterimol/B4: 6.31735	Sterimol/L: 14.0621

Surface and Volume Properties
Accessible surface: 448.628	Positive charged surface: 236.54	Negative charged surface: 212.087	Volume: 227.75
Hydrophobic surface: 337.894	Hydrophilic surface: 110.734

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

MMs00080131
ASINEX-ZINC00130289