MMsINC Database Search


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MMsINC code: MMs01381508

Type: Neutral
Formula: C₁₃H₉ClF₃NO₄S₂

SMILES:

Clc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)ccc1F

InChI:

InChI=1/C13H9ClF3NO4S2/c14-11-7-10(5-6-12(11)15)24(21,22)18-8-1-3-9(4-2-8)23(19,20)13(16)17/h1-7,13,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.7782 kcal/mol

Physical Properties
Molecular Weight: 399.797 g/mol	logS: -4.30055	SlogP: 3.6961	Reactive groups: 0

Topological Properties
Globularity: 0.146735	Sterimol/B1: 2.76089	Sterimol/B2: 3.92969	Sterimol/B3: 5.25438
Sterimol/B4: 5.64545	Sterimol/L: 15.1246

Surface and Volume Properties
Accessible surface: 535.251	Positive charged surface: 183.271	Negative charged surface: 351.98	Volume: 281.25
Hydrophobic surface: 320.336	Hydrophilic surface: 214.915

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.