MMsINC Database Search


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MMsINC code: MMs02348422

Type: Neutral
Formula: C₁₅H₁₀F₃NO

SMILES:

FC(F)(F)C(=O)Nc1cc2Cc3c(-c2cc1)cccc3

InChI:

InChI=1/C15H10F3NO/c16-15(17,18)14(20)19-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.933 kcal/mol

Physical Properties
Molecular Weight: 277.245 g/mol	logS: -5.56722	SlogP: 4.17847	Reactive groups: 0

Topological Properties
Globularity: 0.0155079	Sterimol/B1: 2.57883	Sterimol/B2: 2.81497	Sterimol/B3: 3.93712
Sterimol/B4: 4.01968	Sterimol/L: 15.4297

Surface and Volume Properties
Accessible surface: 466.668	Positive charged surface: 202.975	Negative charged surface: 252.535	Volume: 234.125
Hydrophobic surface: 310.157	Hydrophilic surface: 156.511

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

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Ions/Tautomers related molecules: no related molecules available.