MMsINC Database Search


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MMsINC code: MMs02118724

Type: Neutral
Formula: C₁₇H₁₀F₆N₂O

SMILES:

FC(F)(F)c1cc(ccc1)Cn1cc(c2cccnc12)C(=O)C(F)(F)F

InChI:

InChI=1/C17H10F6N2O/c18-16(19,20)11-4-1-3-10(7-11)8-25-9-13(14(26)17(21,22)23)12-5-2-6-24-15(12)25/h1-7,9H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.8621 kcal/mol

Physical Properties
Molecular Weight: 372.268 g/mol	logS: -6.23262	SlogP: 5.8462	Reactive groups: 0

Topological Properties
Globularity: 0.115612	Sterimol/B1: 2.46721	Sterimol/B2: 2.75292	Sterimol/B3: 4.55867
Sterimol/B4: 8.32646	Sterimol/L: 14.151

Surface and Volume Properties
Accessible surface: 538.234	Positive charged surface: 204.9	Negative charged surface: 327.879	Volume: 289.625
Hydrophobic surface: 282.709	Hydrophilic surface: 255.525

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.