MMsINC Database Search


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MMsINC code: MMs02338743

Type: Neutral
Formula: C₁₀H₁₀N₂O₃S₂

SMILES:

s1c2c(nc1C)cc(S(=O)(=O)NC(=O)C)cc2

InChI:

InChI=1/C10H10N2O3S2/c1-6(13)12-17(14,15)8-3-4-10-9(5-8)11-7(2)16-10/h3-5H,1-2H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-4.36093 kcal/mol

Physical Properties
Molecular Weight: 270.333 g/mol	logS: -2.49482	SlogP: 1.42952	Reactive groups: 0

Topological Properties
Globularity: 0.125804	Sterimol/B1: 2.5679	Sterimol/B2: 3.48781	Sterimol/B3: 5.02004
Sterimol/B4: 5.37318	Sterimol/L: 14.0413

Surface and Volume Properties
Accessible surface: 454.019	Positive charged surface: 224.15	Negative charged surface: 229.869	Volume: 219.375
Hydrophobic surface: 320.014	Hydrophilic surface: 134.005

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.