MMsINC Database Search


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MMsINC code: MMs01444968

Type: Neutral
Formula: C₁₃H₁₁ClFNO₄S₂

SMILES:

Clc1cc(F)c(S(=O)(=O)Nc2ccc(S(=O)(=O)C)cc2)cc1

InChI:

InChI=1/C13H11ClFNO4S2/c1-21(17,18)11-5-3-10(4-6-11)16-22(19,20)13-7-2-9(14)8-12(13)15/h2-8,16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.5523 kcal/mol

Physical Properties
Molecular Weight: 363.817 g/mol	logS: -4.21668	SlogP: 2.6834	Reactive groups: 0

Topological Properties
Globularity: 0.165163	Sterimol/B1: 3.76789	Sterimol/B2: 3.90303	Sterimol/B3: 5.10697
Sterimol/B4: 5.3435	Sterimol/L: 14.2135

Surface and Volume Properties
Accessible surface: 523.466	Positive charged surface: 204.754	Negative charged surface: 318.712	Volume: 278.25
Hydrophobic surface: 378.209	Hydrophilic surface: 145.257

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.