MMsINC Database Search


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

MMsINC code: MMs03698095

Type: Neutral
Formula: C₁₉H₂₂F₃N₃O₂

SMILES:

FC(F)(F)c1cc(ccc1)CC=1C(=O)N(C)C(=O)NC=1N1CCCCCC1

InChI:

InChI=1/C19H22F3N3O2/c1-24-17(26)15(12-13-7-6-8-14(11-13)19(20,21)22)16(23-18(24)27)25-9-4-2-3-5-10-25/h6-8,11H,2-5,9-10,12H2,1H3,(H,23,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.1937 kcal/mol

Physical Properties
Molecular Weight: 381.398 g/mol	logS: -4.41114	SlogP: 3.82857	Reactive groups: 0

Topological Properties
Globularity: 0.212996	Sterimol/B1: 2.25387	Sterimol/B2: 3.10936	Sterimol/B3: 4.69836
Sterimol/B4: 10.8788	Sterimol/L: 13.4627

Surface and Volume Properties
Accessible surface: 560.201	Positive charged surface: 336.051	Negative charged surface: 224.15	Volume: 338.875
Hydrophobic surface: 385.732	Hydrophilic surface: 174.469

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.