MMsINC Database Search


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MMsINC code: MMs00716247

Type: Neutral
Formula: C₂₀H₁₂F₅NO

SMILES:

Fc1c(C(=O)NC(c2ccccc2)c2ccccc2)c(F)c(F)c(F)c1F

InChI:

InChI=1/C20H12F5NO/c21-14-13(15(22)17(24)18(25)16(14)23)20(27)26-19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,19H,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.8932 kcal/mol

Physical Properties
Molecular Weight: 377.312 g/mol	logS: -6.54171	SlogP: 4.997	Reactive groups: 0

Topological Properties
Globularity: 0.162786	Sterimol/B1: 2.2449	Sterimol/B2: 3.28157	Sterimol/B3: 4.75449
Sterimol/B4: 9.33126	Sterimol/L: 14.0925

Surface and Volume Properties
Accessible surface: 576.933	Positive charged surface: 246.817	Negative charged surface: 330.117	Volume: 310.75
Hydrophobic surface: 546.839	Hydrophilic surface: 30.094

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.