MMsINC Database Search


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

MMsINC code: MMs03264699

Type: Neutral
Formula: C₁₉H₁₃FN₂

SMILES:

Fc1ccccc1Nc1c2c(nc3c1cccc3)cccc2

InChI:

InChI=1/C19H13FN2/c20-15-9-3-6-12-18(15)22-19-13-7-1-4-10-16(13)21-17-11-5-2-8-14(17)19/h1-12H,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.558 kcal/mol

Physical Properties
Molecular Weight: 288.325 g/mol	logS: -5.7354	SlogP: 5.2707	Reactive groups: 0

Topological Properties
Globularity: 0.15601	Sterimol/B1: 2.51389	Sterimol/B2: 3.50552	Sterimol/B3: 4.4855
Sterimol/B4: 9.78441	Sterimol/L: 12.6371

Surface and Volume Properties
Accessible surface: 504.55	Positive charged surface: 263.93	Negative charged surface: 234.095	Volume: 276.75
Hydrophobic surface: 465.369	Hydrophilic surface: 39.181

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.