MMsINC Database Search


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MMsINC code: MMs03295222

Type: Neutral
Formula: C₁₀H₄F₃NO₃

SMILES:

FC(F)(F)C(=O)N1c2c(cccc2)C(=O)C1=O

InChI:

InChI=1/C10H4F3NO3/c11-10(12,13)9(17)14-6-4-2-1-3-5(6)7(15)8(14)16/h1-4H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.4696 kcal/mol

Physical Properties
Molecular Weight: 243.14 g/mol	logS: -3.40503	SlogP: 1.7247	Reactive groups: 0

Topological Properties
Globularity: 0.0197638	Sterimol/B1: 2.63702	Sterimol/B2: 2.64009	Sterimol/B3: 3.61253
Sterimol/B4: 5.27245	Sterimol/L: 11.4482

Surface and Volume Properties
Accessible surface: 369.914	Positive charged surface: 127.524	Negative charged surface: 242.391	Volume: 174.375
Hydrophobic surface: 160.87	Hydrophilic surface: 209.044

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.