MMsINC Database Search


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MMsINC code: MMs02343174

Type: Neutral
Formula: C₁₈H₂₄N₂O₄S₂

SMILES:

S(=O)(=O)(N(C)C)C(C(S(=O)(=O)N(C)C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C18H24N2O4S2/c1-19(2)25(21,22)17(15-11-7-5-8-12-15)18(26(23,24)20(3)4)16-13-9-6-10-14-16/h5-14,17-18H,1-4H3/t17-,18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.7098 kcal/mol

Physical Properties
Molecular Weight: 396.532 g/mol	logS: -2.89442	SlogP: 2.4428	Reactive groups: 0

Topological Properties
Globularity: 0.27463	Sterimol/B1: 2.26873	Sterimol/B2: 3.69125	Sterimol/B3: 4.74846
Sterimol/B4: 9.25101	Sterimol/L: 12.3488

Surface and Volume Properties
Accessible surface: 554.073	Positive charged surface: 382.27	Negative charged surface: 171.803	Volume: 356.125
Hydrophobic surface: 470.676	Hydrophilic surface: 83.397

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.