MMsINC Database Search


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MMsINC code: MMs02688770

Type: Neutral
Formula: C₁₈H₁₈F₃NO₂

SMILES:

FC(F)(F)C(=O)N(C(OC)c1ccccc1)CCc1ccccc1

InChI:

InChI=1/C18H18F3NO2/c1-24-16(15-10-6-3-7-11-15)22(17(23)18(19,20)21)13-12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.761 kcal/mol

Physical Properties
Molecular Weight: 337.341 g/mol	logS: -4.36075	SlogP: 4.48057	Reactive groups: 0

Topological Properties
Globularity: 0.229598	Sterimol/B1: 2.13523	Sterimol/B2: 2.44962	Sterimol/B3: 7.03517
Sterimol/B4: 7.6624	Sterimol/L: 14.7015

Surface and Volume Properties
Accessible surface: 538.844	Positive charged surface: 288.061	Negative charged surface: 250.783	Volume: 303
Hydrophobic surface: 428.164	Hydrophilic surface: 110.68

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

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Ions/Tautomers related molecules: no related molecules available.