MMsINC Database Search


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

MMsINC code: MMs00138222

Type: Neutral
Formula: C₁₉H₁₃FN₂O₂

SMILES:

Fc1ccccc1NC(=O)CN1c2c3c(cccc3ccc2)C1=O

InChI:

InChI=1/C19H13FN2O2/c20-14-8-1-2-9-15(14)21-17(23)11-22-16-10-4-6-12-5-3-7-13(18(12)16)19(22)24/h1-10H,11H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.912 kcal/mol

Physical Properties
Molecular Weight: 320.323 g/mol	logS: -5.77267	SlogP: 3.5778	Reactive groups: 0

Topological Properties
Globularity: 0.100592	Sterimol/B1: 2.1583	Sterimol/B2: 3.25618	Sterimol/B3: 5.63015
Sterimol/B4: 6.45462	Sterimol/L: 15.7243

Surface and Volume Properties
Accessible surface: 540.374	Positive charged surface: 284.551	Negative charged surface: 244.908	Volume: 291.875
Hydrophobic surface: 461.223	Hydrophilic surface: 79.151

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.