MMsINC Database Search


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MMsINC code: MMs02099432

Type: Neutral
Formula: C₁₄H₈F₆N₄O₂S₂

SMILES:

s1cccc1S(=O)(=O)Nc1cccnc1-n1nc(cc1C(F)(F)F)C(F)(F)F

InChI:

InChI=1/C14H8F6N4O2S2/c15-13(16,17)9-7-10(14(18,19)20)24(22-9)12-8(3-1-5-21-12)23-28(25,26)11-4-2-6-27-11/h1-7,23H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.551 kcal/mol

Physical Properties
Molecular Weight: 442.364 g/mol	logS: -4.6377	SlogP: 4.7902	Reactive groups: 0

Topological Properties
Globularity: 0.396961	Sterimol/B1: 2.79909	Sterimol/B2: 3.82238	Sterimol/B3: 5.67408
Sterimol/B4: 8.26343	Sterimol/L: 12.768

Surface and Volume Properties
Accessible surface: 548.358	Positive charged surface: 183.282	Negative charged surface: 365.075	Volume: 306.375
Hydrophobic surface: 274.978	Hydrophilic surface: 273.38

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.