MMsINC Database Search


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MMsINC code: MMs01350063

Type: Neutral
Formula: C₁₈H₁₅F₆NO₂

SMILES:

FC(F)(F)c1cc(cc(OC(C(=O)Nc2cc(ccc2)C)C)c1)C(F)(F)F

InChI:

InChI=1/C18H15F6NO2/c1-10-4-3-5-14(6-10)25-16(26)11(2)27-15-8-12(17(19,20)21)7-13(9-15)18(22,23)24/h3-9,11H,1-2H3,(H,25,26)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.648 kcal/mol

Physical Properties
Molecular Weight: 391.311 g/mol	logS: -6.34592	SlogP: 6.06162	Reactive groups: 0

Topological Properties
Globularity: 0.0421533	Sterimol/B1: 3.79882	Sterimol/B2: 3.92704	Sterimol/B3: 4.10831
Sterimol/B4: 5.31942	Sterimol/L: 17.8937

Surface and Volume Properties
Accessible surface: 609.378	Positive charged surface: 242.627	Negative charged surface: 366.75	Volume: 314.25
Hydrophobic surface: 340.679	Hydrophilic surface: 268.699

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.