MMsINC Database Search


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MMsINC code: MMs00882483

Type: Neutral
Formula: C₁₅H₁₃ClFNO₂S₂

SMILES:

Clc1ccccc1C1SCCN1S(=O)(=O)c1ccc(F)cc1

InChI:

InChI=1/C15H13ClFNO2S2/c16-14-4-2-1-3-13(14)15-18(9-10-21-15)22(19,20)12-7-5-11(17)6-8-12/h1-8,15H,9-10H2/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.4111 kcal/mol

Physical Properties
Molecular Weight: 357.857 g/mol	logS: -5.11706	SlogP: 4.0109	Reactive groups: 0

Topological Properties
Globularity: 0.168842	Sterimol/B1: 2.74895	Sterimol/B2: 4.18215	Sterimol/B3: 5.61795
Sterimol/B4: 6.25943	Sterimol/L: 14.4764

Surface and Volume Properties
Accessible surface: 520.242	Positive charged surface: 234.803	Negative charged surface: 285.439	Volume: 293.5
Hydrophobic surface: 444.573	Hydrophilic surface: 75.669

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.