MMsINC Database Search


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MMsINC code: MMs01502076

Type: Neutral
Formula: C₁₄H₁₀F₃NO₂

SMILES:

Fc1cc(NC(=O)c2cc(OC(F)F)ccc2)ccc1

InChI:

InChI=1/C14H10F3NO2/c15-10-4-2-5-11(8-10)18-13(19)9-3-1-6-12(7-9)20-14(16)17/h1-8,14H,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.6705 kcal/mol

Physical Properties
Molecular Weight: 281.233 g/mol	logS: -3.7841	SlogP: 4.0993	Reactive groups: 0

Topological Properties
Globularity: 0.017914	Sterimol/B1: 2.12911	Sterimol/B2: 2.4907	Sterimol/B3: 3.06469
Sterimol/B4: 5.86676	Sterimol/L: 15.7407

Surface and Volume Properties
Accessible surface: 470.184	Positive charged surface: 220.25	Negative charged surface: 249.933	Volume: 233
Hydrophobic surface: 347.056	Hydrophilic surface: 123.128

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

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Ions/Tautomers related molecules: no related molecules available.