MMsINC Database Search


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MMsINC code: MMs01074238

Type: Neutral
Formula: C₁₄H₁₀FNO₃

SMILES:

Fc1ccc(cc1)C(=O)Nc1ccccc1C(O)=O

InChI:

InChI=1/C14H10FNO3/c15-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(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)=66.2819 kcal/mol

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

Topological Properties
Globularity: 0.0140866	Sterimol/B1: 2.41174	Sterimol/B2: 2.65758	Sterimol/B3: 3.44901
Sterimol/B4: 6.31379	Sterimol/L: 14.3447

Surface and Volume Properties
Accessible surface: 451.394	Positive charged surface: 230.805	Negative charged surface: 220.589	Volume: 227.125
Hydrophobic surface: 338.223	Hydrophilic surface: 113.171

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

MMs01074239
CHEMSTAR-ZINC00264138