MMsINC Database Search


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

MMsINC code: MMs00628877

Type: Neutral
Formula: C₁₉H₁₃ClFNO

SMILES:

Clc1cccc(F)c1C1CC(=O)Nc2c1c1c(cc2)cccc1

InChI:

InChI=1/C19H13ClFNO/c20-14-6-3-7-15(21)19(14)13-10-17(23)22-16-9-8-11-4-1-2-5-12(11)18(13)16/h1-9,13H,10H2,(H,22,23)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.915 kcal/mol

Physical Properties
Molecular Weight: 325.77 g/mol	logS: -6.20237	SlogP: 5.1064	Reactive groups: 0

Topological Properties
Globularity: 0.154546	Sterimol/B1: 2.50418	Sterimol/B2: 4.32741	Sterimol/B3: 4.35664
Sterimol/B4: 9.44543	Sterimol/L: 12.1381

Surface and Volume Properties
Accessible surface: 489.943	Positive charged surface: 229.063	Negative charged surface: 253.402	Volume: 284.625
Hydrophobic surface: 415.782	Hydrophilic surface: 74.161

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.