MMsINC Database Search


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MMsINC code: MMs02241837

Type: Neutral
Formula: C₁₈H₂₄N₂O₄S₄

SMILES:

S(=O)(=O)(N(SSN(S(=O)(=O)c1ccc(cc1)C)CC)CC)c1ccc(cc1)C

InChI:

InChI=1/C18H24N2O4S4/c1-5-19(27(21,22)17-11-7-15(3)8-12-17)25-26-20(6-2)28(23,24)18-13-9-16(4)10-14-18/h7-14H,5-6H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.4707 kcal/mol

Physical Properties
Molecular Weight: 460.664 g/mol	logS: -6.56498	SlogP: 4.23624	Reactive groups: 1

Topological Properties
Globularity: 0.184666	Sterimol/B1: 2.22801	Sterimol/B2: 2.86052	Sterimol/B3: 5.88651
Sterimol/B4: 9.85276	Sterimol/L: 15.1366

Surface and Volume Properties
Accessible surface: 645.947	Positive charged surface: 399.761	Negative charged surface: 246.186	Volume: 400.375
Hydrophobic surface: 543.421	Hydrophilic surface: 102.526

Pharmacophoric Properties
Hydrogen bond donors: 0	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.