MMsINC Database Search


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MMsINC code: MMs00315863

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S₂

SMILES:

S(=O)(=O)(N1CCC(CC1)C)c1ccc(S(=O)(=O)NCc2ccccc2)cc1

InChI:

InChI=1/C19H24N2O4S2/c1-16-11-13-21(14-12-16)27(24,25)19-9-7-18(8-10-19)26(22,23)20-15-17-5-3-2-4-6-17/h2-10,16,20H,11-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.2867 kcal/mol

Physical Properties
Molecular Weight: 408.543 g/mol	logS: -4.17369	SlogP: 2.8521	Reactive groups: 0

Topological Properties
Globularity: 0.051995	Sterimol/B1: 3.9669	Sterimol/B2: 4.03208	Sterimol/B3: 4.45724
Sterimol/B4: 5.30521	Sterimol/L: 20.7661

Surface and Volume Properties
Accessible surface: 659.669	Positive charged surface: 380.638	Negative charged surface: 279.031	Volume: 366
Hydrophobic surface: 502.538	Hydrophilic surface: 157.131

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.