MMsINC Database Search


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MMsINC code: MMs01440162

Type: Neutral
Formula: C₁₁H₁₃N₃O₄S₂

SMILES:

S(CC(=O)N)c1oc2c(n1)cc(S(=O)(=O)N(C)C)cc2

InChI:

InChI=1/C11H13N3O4S2/c1-14(2)20(16,17)7-3-4-9-8(5-7)13-11(18-9)19-6-10(12)15/h3-5H,6H2,1-2H3,(H2,12,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.807 kcal/mol

Physical Properties
Molecular Weight: 315.374 g/mol	logS: -3.83015	SlogP: 0.6555	Reactive groups: 0

Topological Properties
Globularity: 0.044704	Sterimol/B1: 2.28386	Sterimol/B2: 2.66295	Sterimol/B3: 4.5316
Sterimol/B4: 5.66475	Sterimol/L: 16.6623

Surface and Volume Properties
Accessible surface: 520.231	Positive charged surface: 323.864	Negative charged surface: 196.367	Volume: 260.5
Hydrophobic surface: 271.621	Hydrophilic surface: 248.61

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.