MMsINC Database Search


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MMsINC code: MMs03024250

Type: Neutral
Formula: C₁₅H₂₀F₃NO

SMILES:

FC(F)(F)c1ccccc1NC(=O)C(CCC)CCC

InChI:

InChI=1/C15H20F3NO/c1-3-7-11(8-4-2)14(20)19-13-10-6-5-9-12(13)15(16,17)18/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.2762 kcal/mol

Physical Properties
Molecular Weight: 287.325 g/mol	logS: -5.1153	SlogP: 5.1718	Reactive groups: 0

Topological Properties
Globularity: 0.0544183	Sterimol/B1: 2.09519	Sterimol/B2: 2.57126	Sterimol/B3: 3.68272
Sterimol/B4: 9.03834	Sterimol/L: 13.3303

Surface and Volume Properties
Accessible surface: 516.7	Positive charged surface: 293.781	Negative charged surface: 222.919	Volume: 268.875
Hydrophobic surface: 363.753	Hydrophilic surface: 152.947

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.