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MMsINC code: MMs02950403

Type: Neutral
Formula: C₁₇H₂₀N₂O₃S₂

SMILES:

S(CCC(=O)Nc1ccc(S(=O)(=O)NCC)cc1)c1ccccc1

InChI:

InChI=1/C17H20N2O3S2/c1-2-18-24(21,22)16-10-8-14(9-11-16)19-17(20)12-13-23-15-6-4-3-5-7-15/h3-11,18H,2,12-13H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.6679 kcal/mol

Physical Properties
Molecular Weight: 364.49 g/mol	logS: -4.44982	SlogP: 3.1057	Reactive groups: 0

Topological Properties
Globularity: 0.0273132	Sterimol/B1: 2.42581	Sterimol/B2: 3.87874	Sterimol/B3: 4.78809
Sterimol/B4: 5.48074	Sterimol/L: 21.164

Surface and Volume Properties
Accessible surface: 637.229	Positive charged surface: 358.952	Negative charged surface: 278.276	Volume: 333
Hydrophobic surface: 455.25	Hydrophilic surface: 181.979

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.