MMsINC Database Search


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

MMsINC code: MMs01992483

Type: Neutral
Formula: C₂₀H₁₈FN₃O₂

SMILES:

Fc1ccccc1N1CCN(CC1)C(=O)C(=O)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C20H18FN3O2/c21-16-6-2-4-8-18(16)23-9-11-24(12-10-23)20(26)19(25)15-13-22-17-7-3-1-5-14(15)17/h1-8,13,22H,9-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=181.835 kcal/mol

Physical Properties
Molecular Weight: 351.381 g/mol	logS: -4.21184	SlogP: 2.8385	Reactive groups: 0

Topological Properties
Globularity: 0.0616426	Sterimol/B1: 2.48058	Sterimol/B2: 3.49762	Sterimol/B3: 4.76922
Sterimol/B4: 6.70244	Sterimol/L: 18.2346

Surface and Volume Properties
Accessible surface: 585.518	Positive charged surface: 352.335	Negative charged surface: 227.815	Volume: 325.625
Hydrophobic surface: 482.358	Hydrophilic surface: 103.16

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.