MMsINC Database Search


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MMsINC code: MMs01665580

Type: Neutral
Formula: C₁₉H₂₃F₃N₄O₃

SMILES:

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

InChI:

InChI=1/C19H23F3N4O3/c1-3-5-9-26-16(23)15(17(28)24-18(26)29)25(4-2)14(27)11-12-7-6-8-13(10-12)19(20,21)22/h6-8,10H,3-5,9,11,23H2,1-2H3,(H,24,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.4221 kcal/mol

Physical Properties
Molecular Weight: 412.412 g/mol	logS: -4.74264	SlogP: 2.88757	Reactive groups: 0

Topological Properties
Globularity: 0.114976	Sterimol/B1: 2.52121	Sterimol/B2: 3.6369	Sterimol/B3: 4.98577
Sterimol/B4: 8.66524	Sterimol/L: 17.4717

Surface and Volume Properties
Accessible surface: 659.79	Positive charged surface: 369.232	Negative charged surface: 290.558	Volume: 363
Hydrophobic surface: 360.185	Hydrophilic surface: 299.605

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

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Ions/Tautomers related molecules: no related molecules available.