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MMsINC code: MMs03685708

Type: Neutral
Formula: C₁₆H₁₈N₂O₄S₂

SMILES:

S1CC(=O)N(Cc2ccc(S(=O)(=O)N)cc2)C1c1oc(cc1)CC

InChI:

InChI=1/C16H18N2O4S2/c1-2-12-5-8-14(22-12)16-18(15(19)10-23-16)9-11-3-6-13(7-4-11)24(17,20)21/h3-8,16H,2,9-10H2,1H3,(H2,17,20,21)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=14.685 kcal/mol

Physical Properties
Molecular Weight: 366.462 g/mol	logS: -4.70771	SlogP: 2.62547	Reactive groups: 0

Topological Properties
Globularity: 0.258274	Sterimol/B1: 2.24832	Sterimol/B2: 2.29803	Sterimol/B3: 5.70609
Sterimol/B4: 8.70988	Sterimol/L: 14.0417

Surface and Volume Properties
Accessible surface: 539.724	Positive charged surface: 318.524	Negative charged surface: 221.2	Volume: 318.25
Hydrophobic surface: 308.777	Hydrophilic surface: 230.947

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03685709
PUBCHEM-ZINC06359280