MMsINC Database Search


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MMsINC code: MMs03453832

Type: Neutral
Formula: C₂₀H₁₂F₄N₂

SMILES:

Fc1cccc(F)c1-c1nc2c(n1Cc1c(F)cccc1F)cccc2

InChI:

InChI=1/C20H12F4N2/c21-13-5-3-6-14(22)12(13)11-26-18-10-2-1-9-17(18)25-20(26)19-15(23)7-4-8-16(19)24/h1-10H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.7345 kcal/mol

Physical Properties
Molecular Weight: 356.322 g/mol	logS: -7.33207	SlogP: 5.5744	Reactive groups: 0

Topological Properties
Globularity: 0.174845	Sterimol/B1: 2.92869	Sterimol/B2: 3.29548	Sterimol/B3: 4.44345
Sterimol/B4: 8.1551	Sterimol/L: 13.7046

Surface and Volume Properties
Accessible surface: 526.725	Positive charged surface: 264.491	Negative charged surface: 262.234	Volume: 304.25
Hydrophobic surface: 498.317	Hydrophilic surface: 28.408

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

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Ions/Tautomers related molecules: no related molecules available.