MMsINC Database Search


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MMsINC code: MMs01068290

Type: Neutral
Formula: C₁₀H₁₀N₂O₄S

SMILES:

S(=O)(=O)(N(C)C)c1cc2c(NC(=O)C2=O)cc1

InChI:

InChI=1/C10H10N2O4S/c1-12(2)17(15,16)6-3-4-8-7(5-6)9(13)10(14)11-8/h3-5H,1-2H3,(H,11,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.6601 kcal/mol

Physical Properties
Molecular Weight: 254.266 g/mol	logS: -1.95428	SlogP: 0.0717	Reactive groups: 0

Topological Properties
Globularity: 0.0927268	Sterimol/B1: 2.7275	Sterimol/B2: 2.9006	Sterimol/B3: 4.40592
Sterimol/B4: 5.81783	Sterimol/L: 12.9578

Surface and Volume Properties
Accessible surface: 423.721	Positive charged surface: 251.152	Negative charged surface: 172.569	Volume: 207.75
Hydrophobic surface: 233.809	Hydrophilic surface: 189.912

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.