MMsINC Database Search


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MMsINC code: MMs01697462

Type: Neutral
Formula: C₁₅H₁₇ClN₂O₄S₂

SMILES:

Clc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1C

InChI:

InChI=1/C15H17ClN2O4S2/c1-11-14(16)5-4-6-15(11)17-23(19,20)12-7-9-13(10-8-12)24(21,22)18(2)3/h4-10,17H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.4126 kcal/mol

Physical Properties
Molecular Weight: 388.896 g/mol	logS: -3.85504	SlogP: 2.69952	Reactive groups: 0

Topological Properties
Globularity: 0.13921	Sterimol/B1: 3.17858	Sterimol/B2: 3.44003	Sterimol/B3: 6.09093
Sterimol/B4: 6.396	Sterimol/L: 14.9528

Surface and Volume Properties
Accessible surface: 572.984	Positive charged surface: 300.499	Negative charged surface: 272.485	Volume: 323.375
Hydrophobic surface: 442.649	Hydrophilic surface: 130.335

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.