MMsINC Database Search


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MMsINC code: MMs01429652

Type: Neutral
Formula: C₁₂H₁₁ClFNO₂S₂

SMILES:

Clc1cc(F)ccc1CN(S(=O)(=O)c1sccc1)C

InChI:

InChI=1/C12H11ClFNO2S2/c1-15(19(16,17)12-3-2-6-18-12)8-9-4-5-10(14)7-11(9)13/h2-7H,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.1983 kcal/mol

Physical Properties
Molecular Weight: 319.808 g/mol	logS: -4.06062	SlogP: 3.6277	Reactive groups: 0

Topological Properties
Globularity: 0.0985962	Sterimol/B1: 2.2542	Sterimol/B2: 2.40684	Sterimol/B3: 5.02154
Sterimol/B4: 6.68109	Sterimol/L: 14.9898

Surface and Volume Properties
Accessible surface: 484.782	Positive charged surface: 200.808	Negative charged surface: 283.974	Volume: 255.875
Hydrophobic surface: 433.3	Hydrophilic surface: 51.482

Pharmacophoric Properties
Hydrogen bond donors: 0	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.