MMsINC Database Search


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MMsINC code: MMs01343275

Type: Neutral
Formula: C₁₂H₉ClFNO₂S

SMILES:

Clc1cc(S(=O)(=O)Nc2ccccc2)ccc1F

InChI:

InChI=1/C12H9ClFNO2S/c13-11-8-10(6-7-12(11)14)18(16,17)15-9-4-2-1-3-5-9/h1-8,15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.0077 kcal/mol

Physical Properties
Molecular Weight: 285.726 g/mol	logS: -4.07599	SlogP: 3.2799	Reactive groups: 0

Topological Properties
Globularity: 0.265324	Sterimol/B1: 2.82486	Sterimol/B2: 3.70609	Sterimol/B3: 4.31735
Sterimol/B4: 6.22566	Sterimol/L: 12.1118

Surface and Volume Properties
Accessible surface: 451.212	Positive charged surface: 184.674	Negative charged surface: 266.538	Volume: 230.75
Hydrophobic surface: 370.059	Hydrophilic surface: 81.153

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.