MMsINC Database Search


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MMsINC code: MMs02546332

Type: Neutral
Formula: C₁₄H₁₀F₄N₂O₂

SMILES:

Fc1c(OCc2ccc(cc2)C(=O)NN)c(F)c(F)cc1F

InChI:

InChI=1/C14H10F4N2O2/c15-9-5-10(16)12(18)13(11(9)17)22-6-7-1-3-8(4-2-7)14(21)20-19/h1-5H,6,19H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.3212 kcal/mol

Physical Properties
Molecular Weight: 314.238 g/mol	logS: -4.61513	SlogP: 2.6919	Reactive groups: 0

Topological Properties
Globularity: 0.0139525	Sterimol/B1: 2.54891	Sterimol/B2: 2.55963	Sterimol/B3: 2.91829
Sterimol/B4: 5.60345	Sterimol/L: 17.1318

Surface and Volume Properties
Accessible surface: 499.418	Positive charged surface: 240.128	Negative charged surface: 259.29	Volume: 249.625
Hydrophobic surface: 359.263	Hydrophilic surface: 140.155

Pharmacophoric Properties
Hydrogen bond donors: 2	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.