MMsINC Database Search


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

MMsINC code: MMs03430251

Type: Neutral
Formula: C₁₆H₁₅FN₂O₃

SMILES:

Fc1ccccc1C(=O)N\N=C(/C)\c1cc(OC)c(O)cc1

InChI:

InChI=1/C16H15FN2O3/c1-10(11-7-8-14(20)15(9-11)22-2)18-19-16(21)12-5-3-4-6-13(12)17/h3-9,20H,1-2H3,(H,19,21)/b18-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.185 kcal/mol

Physical Properties
Molecular Weight: 302.305 g/mol	logS: -3.82772	SlogP: 2.6939	Reactive groups: 0

Topological Properties
Globularity: 0.0490076	Sterimol/B1: 2.38278	Sterimol/B2: 2.79217	Sterimol/B3: 3.92719
Sterimol/B4: 8.25601	Sterimol/L: 15.7497

Surface and Volume Properties
Accessible surface: 531.129	Positive charged surface: 321.604	Negative charged surface: 209.526	Volume: 275.875
Hydrophobic surface: 412.998	Hydrophilic surface: 118.131

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