MMsINC Database Search


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MMsINC code: MMs02747945

Type: Neutral
Formula: C₁₅H₁₄F₆N₂O₃

SMILES:

FC(F)(F)C(NC(=O)c1ccc(OC)cc1)(N1CCCC1=O)C(F)(F)F

InChI:

InChI=1/C15H14F6N2O3/c1-26-10-6-4-9(5-7-10)12(25)22-13(14(16,17)18,15(19,20)21)23-8-2-3-11(23)24/h4-7H,2-3,8H2,1H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.363 kcal/mol

Physical Properties
Molecular Weight: 384.276 g/mol	logS: -4.10244	SlogP: 3.7081	Reactive groups: 0

Topological Properties
Globularity: 0.0512877	Sterimol/B1: 3.09325	Sterimol/B2: 3.85908	Sterimol/B3: 3.88976
Sterimol/B4: 6.17016	Sterimol/L: 15.7147

Surface and Volume Properties
Accessible surface: 524.005	Positive charged surface: 271.393	Negative charged surface: 252.613	Volume: 289.25
Hydrophobic surface: 335.862	Hydrophilic surface: 188.143

Pharmacophoric Properties
Hydrogen bond donors: 1	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.