MMsINC Database Search


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MMsINC code: MMs02748995

Type: Neutral
Formula: C₁₄H₁₅ClN₂O₄S₂

SMILES:

Clc1ccc(S(=O)(=O)Nc2cc(N(S(=O)(=O)C)C)ccc2)cc1

InChI:

InChI=1/C14H15ClN2O4S2/c1-17(22(2,18)19)13-5-3-4-12(10-13)16-23(20,21)14-8-6-11(15)7-9-14/h3-10,16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.2837 kcal/mol

Physical Properties
Molecular Weight: 374.869 g/mol	logS: -3.69457	SlogP: 2.5366	Reactive groups: 0

Topological Properties
Globularity: 0.167974	Sterimol/B1: 2.81318	Sterimol/B2: 3.81326	Sterimol/B3: 5.09815
Sterimol/B4: 6.56165	Sterimol/L: 13.9762

Surface and Volume Properties
Accessible surface: 555.184	Positive charged surface: 256.555	Negative charged surface: 298.628	Volume: 304.25
Hydrophobic surface: 411.63	Hydrophilic surface: 143.554

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.