MMsINC Database Search


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MMsINC code: MMs01510492

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCc2c1cccc2)c1ccc(S(=O)(=O)N(CC)CC)cc1

InChI:

InChI=1/C19H24N2O4S2/c1-3-20(4-2)26(22,23)17-11-13-18(14-12-17)27(24,25)21-15-7-9-16-8-5-6-10-19(16)21/h5-6,8,10-14H,3-4,7,9,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.4178 kcal/mol

Physical Properties
Molecular Weight: 408.543 g/mol	logS: -4.07592	SlogP: 2.85857	Reactive groups: 0

Topological Properties
Globularity: 0.0664192	Sterimol/B1: 2.86311	Sterimol/B2: 3.49487	Sterimol/B3: 5.46499
Sterimol/B4: 6.21056	Sterimol/L: 16.9539

Surface and Volume Properties
Accessible surface: 622.835	Positive charged surface: 361.069	Negative charged surface: 261.766	Volume: 365
Hydrophobic surface: 475.571	Hydrophilic surface: 147.264

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.