MMsINC Database Search


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

MMsINC code: MMs00231459

Type: Neutral
Formula: C₂₁H₁₄F₂N₂O₄

SMILES:

Fc1ccccc1C(=O)Nc1cc(ccc1NC(=O)c1ccccc1F)C(O)=O

InChI:

InChI=1/C21H14F2N2O4/c22-15-7-3-1-5-13(15)19(26)24-17-10-9-12(21(28)29)11-18(17)25-20(27)14-6-2-4-8-16(14)23/h1-11H,(H,24,26)(H,25,27)(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.698 kcal/mol

Physical Properties
Molecular Weight: 396.349 g/mol	logS: -5.88422	SlogP: 4.1676	Reactive groups: 0

Topological Properties
Globularity: 0.0196204	Sterimol/B1: 2.097	Sterimol/B2: 3.19135	Sterimol/B3: 5.31337
Sterimol/B4: 9.795	Sterimol/L: 14.9223

Surface and Volume Properties
Accessible surface: 619.595	Positive charged surface: 312.303	Negative charged surface: 307.293	Volume: 340.5
Hydrophobic surface: 460.861	Hydrophilic surface: 158.734

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

search links for this molecule:

Ions/Tautomers related molecules

MMs00231460
ASINEX-ZINC01216158