MMsINC Database Search


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

MMsINC code: MMs01442315

Type: Neutral
Formula: C₂₀H₁₆FNO₃

SMILES:

Fc1cc(NC(=O)COC(=O)c2c3c(ccc2)cccc3)ccc1C

InChI:

InChI=1/C20H16FNO3/c1-13-9-10-15(11-18(13)21)22-19(23)12-25-20(24)17-8-4-6-14-5-2-3-7-16(14)17/h2-11H,12H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.955 kcal/mol

Physical Properties
Molecular Weight: 337.35 g/mol	logS: -6.09637	SlogP: 4.08282	Reactive groups: 0

Topological Properties
Globularity: 0.0113708	Sterimol/B1: 2.63677	Sterimol/B2: 2.86352	Sterimol/B3: 4.04509
Sterimol/B4: 5.36327	Sterimol/L: 19.606

Surface and Volume Properties
Accessible surface: 598.986	Positive charged surface: 329.681	Negative charged surface: 259.722	Volume: 313.125
Hydrophobic surface: 522.566	Hydrophilic surface: 76.42

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.