MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00102532

Type: Neutral
Formula: C₁₄H₁₀FNO₃

SMILES:

Fc1cc(ccc1)C(=O)Nc1ccccc1C(O)=O

InChI:

InChI=1/C14H10FNO3/c15-10-5-3-4-9(8-10)13(17)16-12-7-2-1-6-11(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)=63.8537 kcal/mol

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

Topological Properties
Globularity: 0.0208211	Sterimol/B1: 2.51359	Sterimol/B2: 2.59636	Sterimol/B3: 3.48067
Sterimol/B4: 6.20587	Sterimol/L: 14.1186

Surface and Volume Properties
Accessible surface: 450.631	Positive charged surface: 230.57	Negative charged surface: 220.061	Volume: 228.5
Hydrophobic surface: 338.133	Hydrophilic surface: 112.498

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

search links for this molecule:

Ions/Tautomers related molecules

MMs00102533
ASINEX-ZINC00264141