MMsINC Database Search


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MMsINC code: MMs00176007

Type: Neutral
Formula: C₁₀H₇F₂NO₂S₂

SMILES:

s1cccc1S(=O)(=O)Nc1ccc(F)cc1F

InChI:

InChI=1/C10H7F2NO2S2/c11-7-3-4-9(8(12)6-7)13-17(14,15)10-2-1-5-16-10/h1-6,13H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.9654 kcal/mol

Physical Properties
Molecular Weight: 275.299 g/mol	logS: -3.60169	SlogP: 2.8271	Reactive groups: 0

Topological Properties
Globularity: 0.24075	Sterimol/B1: 3.34912	Sterimol/B2: 3.44451	Sterimol/B3: 4.57678
Sterimol/B4: 5.77057	Sterimol/L: 11.2907

Surface and Volume Properties
Accessible surface: 416.186	Positive charged surface: 160.493	Negative charged surface: 255.693	Volume: 209.375
Hydrophobic surface: 333.764	Hydrophilic surface: 82.422

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.