MMsINC Database Search


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MMsINC code: MMs03297263

Type: Neutral
Formula: C₁₀H₁₆N₂O₄S

SMILES:

S(=O)(=O)(N(C)C)NCCc1cc(O)c(O)cc1

InChI:

InChI=1/C10H16N2O4S/c1-12(2)17(15,16)11-6-5-8-3-4-9(13)10(14)7-8/h3-4,7,11,13-14H,5-6H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-0.106003 kcal/mol

Physical Properties
Molecular Weight: 260.314 g/mol	logS: -0.27734	SlogP: 0.03627	Reactive groups: 0

Topological Properties
Globularity: 0.116167	Sterimol/B1: 3.02572	Sterimol/B2: 3.03229	Sterimol/B3: 4.50903
Sterimol/B4: 4.89097	Sterimol/L: 14.1369

Surface and Volume Properties
Accessible surface: 478.482	Positive charged surface: 327.712	Negative charged surface: 150.77	Volume: 232.125
Hydrophobic surface: 300.386	Hydrophilic surface: 178.096

Pharmacophoric Properties
Hydrogen bond donors: 3	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.