MMsINC Database Search


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MMsINC code: MMs02964200

Type: Neutral
Formula: C₁₁H₁₂N₂O₄S

SMILES:

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

InChI:

InChI=1/C11H12N2O4S/c1-6(2)13-18(16,17)7-3-4-9-8(5-7)10(14)11(15)12-9/h3-6,13H,1-2H3,(H,12,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.0817 kcal/mol

Physical Properties
Molecular Weight: 268.293 g/mol	logS: -2.53312	SlogP: 0.5081	Reactive groups: 0

Topological Properties
Globularity: 0.14834	Sterimol/B1: 3.4736	Sterimol/B2: 3.71009	Sterimol/B3: 4.3002
Sterimol/B4: 5.67248	Sterimol/L: 13.0591

Surface and Volume Properties
Accessible surface: 449.587	Positive charged surface: 236.828	Negative charged surface: 212.759	Volume: 227.125
Hydrophobic surface: 194.835	Hydrophilic surface: 254.752

Pharmacophoric Properties
Hydrogen bond donors: 2	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.