MMsINC Database Search


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

MMsINC code: MMs01022392

Type: Neutral
Formula: C₁₉H₁₅FN₄O₂

SMILES:

Fc1cc2N(CC(=O)NCc3ncccc3)C(=O)c3n(-c2cc1)ccc3

InChI:

InChI=1/C19H15FN4O2/c20-13-6-7-15-17(10-13)24(19(26)16-5-3-9-23(15)16)12-18(25)22-11-14-4-1-2-8-21-14/h1-10H,11-12H2,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.1928 kcal/mol

Physical Properties
Molecular Weight: 350.353 g/mol	logS: -3.04762	SlogP: 2.5544	Reactive groups: 0

Topological Properties
Globularity: 0.0324124	Sterimol/B1: 3.03306	Sterimol/B2: 3.45193	Sterimol/B3: 4.89562
Sterimol/B4: 6.2092	Sterimol/L: 17.5253

Surface and Volume Properties
Accessible surface: 588.178	Positive charged surface: 322.515	Negative charged surface: 265.662	Volume: 316
Hydrophobic surface: 462.789	Hydrophilic surface: 125.389

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.