MMsINC Database Search


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MMsINC code: MMs01455075

Type: Neutral
Formula: C₂₃H₁₇F₃O

SMILES:

FC(F)(F)c1ccc(cc1)\C=C\C(=O)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H17F3O/c24-23(25,26)20-14-11-17(12-15-20)13-16-21(27)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16,22H/b16-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.301 kcal/mol

Physical Properties
Molecular Weight: 366.382 g/mol	logS: -6.72399	SlogP: 6.4313	Reactive groups: 1

Topological Properties
Globularity: 0.106153	Sterimol/B1: 2.097	Sterimol/B2: 3.81278	Sterimol/B3: 4.33678
Sterimol/B4: 8.88854	Sterimol/L: 17.0745

Surface and Volume Properties
Accessible surface: 616.019	Positive charged surface: 269.232	Negative charged surface: 346.788	Volume: 342.875
Hydrophobic surface: 496.037	Hydrophilic surface: 119.982

Pharmacophoric Properties
Hydrogen bond donors: 0	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.