MMsINC Database Search


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

MMsINC code: MMs01302500

Type: Neutral
Formula: C₁₉H₁₆FN₃O₃

SMILES:

Fc1ccc(cc1)C(=O)Nc1nc(OC)c(-c2ccccc2)c(OC)n1

InChI:

InChI=1/C19H16FN3O3/c1-25-17-15(12-6-4-3-5-7-12)18(26-2)23-19(22-17)21-16(24)13-8-10-14(20)11-9-13/h3-11H,1-2H3,(H,21,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6425 kcal/mol

Physical Properties
Molecular Weight: 353.353 g/mol	logS: -6.30411	SlogP: 3.5522	Reactive groups: 0

Topological Properties
Globularity: 0.0295208	Sterimol/B1: 2.4428	Sterimol/B2: 3.16839	Sterimol/B3: 3.57795
Sterimol/B4: 9.3297	Sterimol/L: 18.673

Surface and Volume Properties
Accessible surface: 608.267	Positive charged surface: 404.496	Negative charged surface: 202.43	Volume: 323.875
Hydrophobic surface: 540.196	Hydrophilic surface: 68.071

Pharmacophoric Properties
Hydrogen bond donors: 1	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.