MMsINC Database Search


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

MMsINC code: MMs01265305

Type: Neutral
Formula: C₁₉H₁₄FNO₄

SMILES:

Fc1ccc(NC(=O)COC(=O)c2cc3c(cc2O)cccc3)cc1

InChI:

InChI=1/C19H14FNO4/c20-14-5-7-15(8-6-14)21-18(23)11-25-19(24)16-9-12-3-1-2-4-13(12)10-17(16)22/h1-10,22H,11H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.1508 kcal/mol

Physical Properties
Molecular Weight: 339.322 g/mol	logS: -5.57395	SlogP: 3.48	Reactive groups: 0

Topological Properties
Globularity: 0.0101175	Sterimol/B1: 2.55839	Sterimol/B2: 2.57079	Sterimol/B3: 2.92158
Sterimol/B4: 7.85739	Sterimol/L: 18.1004

Surface and Volume Properties
Accessible surface: 590.989	Positive charged surface: 315.299	Negative charged surface: 264.619	Volume: 302.375
Hydrophobic surface: 472.831	Hydrophilic surface: 118.158

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.