MMsINC Database Search


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MMsINC code: MMs02163073

Type: Neutral
Formula: C₁₅H₁₇ClN₂O₄S₂

SMILES:

Clc1cc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.6895 kcal/mol

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

Topological Properties
Globularity: 0.254742	Sterimol/B1: 2.44413	Sterimol/B2: 2.73723	Sterimol/B3: 5.54389
Sterimol/B4: 8.58525	Sterimol/L: 12.161

Surface and Volume Properties
Accessible surface: 533.176	Positive charged surface: 266.258	Negative charged surface: 266.918	Volume: 320.625
Hydrophobic surface: 404.025	Hydrophilic surface: 129.151

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.