MMsINC Database Search


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MMsINC code: MMs00099020

Type: Neutral
Formula: C₁₆H₁₆N₂O₂S₂

SMILES:

s1c2c(nc1C)cc(N(S(=O)(=O)c1ccc(cc1)C)C)cc2

InChI:

InChI=1/C16H16N2O2S2/c1-11-4-7-14(8-5-11)22(19,20)18(3)13-6-9-16-15(10-13)17-12(2)21-16/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.5693 kcal/mol

Physical Properties
Molecular Weight: 332.448 g/mol	logS: -4.27362	SlogP: 3.73824	Reactive groups: 0

Topological Properties
Globularity: 0.0674501	Sterimol/B1: 2.42734	Sterimol/B2: 2.67258	Sterimol/B3: 5.53021
Sterimol/B4: 6.70427	Sterimol/L: 16.9472

Surface and Volume Properties
Accessible surface: 549.455	Positive charged surface: 296.067	Negative charged surface: 253.388	Volume: 298.5
Hydrophobic surface: 473.852	Hydrophilic surface: 75.603

Pharmacophoric Properties
Hydrogen bond donors: 0	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.