MMsINC Database Search


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MMsINC code: MMs03203448

Type: Neutral
Formula: C₁₁H₁₄F₃N₃O

SMILES:

FC(F)(F)C(=O)N(Cc1cc(N)ccc1NC)C

InChI:

InChI=1/C11H14F3N3O/c1-16-9-4-3-8(15)5-7(9)6-17(2)10(18)11(12,13)14/h3-5,16H,6,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.7837 kcal/mol

Physical Properties
Molecular Weight: 261.247 g/mol	logS: -2.02535	SlogP: 2.5175	Reactive groups: 0

Topological Properties
Globularity: 0.107908	Sterimol/B1: 2.53197	Sterimol/B2: 3.71253	Sterimol/B3: 3.78295
Sterimol/B4: 7.2195	Sterimol/L: 12.0841

Surface and Volume Properties
Accessible surface: 442.248	Positive charged surface: 279.962	Negative charged surface: 162.285	Volume: 224.25
Hydrophobic surface: 241.009	Hydrophilic surface: 201.239

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.