MMsINC Database Search


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MMsINC code: MMs00445045

Type: Neutral
Formula: C₁₀H₁₆N₂O₃S₂

SMILES:

s1cc(S(=O)(=O)NC(CC)C)cc1C(=O)NC

InChI:

InChI=1/C10H16N2O3S2/c1-4-7(2)12-17(14,15)8-5-9(16-6-8)10(13)11-3/h5-7,12H,4H2,1-3H3,(H,11,13)/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-0.917972 kcal/mol

Physical Properties
Molecular Weight: 276.381 g/mol	logS: -2.03185	SlogP: 1.1845	Reactive groups: 0

Topological Properties
Globularity: 0.0955343	Sterimol/B1: 2.56207	Sterimol/B2: 3.7805	Sterimol/B3: 4.1331
Sterimol/B4: 6.72911	Sterimol/L: 14.3592

Surface and Volume Properties
Accessible surface: 471.366	Positive charged surface: 281.877	Negative charged surface: 189.489	Volume: 241.625
Hydrophobic surface: 302.841	Hydrophilic surface: 168.525

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.