MMsINC Database Search


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MMsINC code: MMs01288310

Type: Neutral
Formula: C₁₀H₁₅NO₂S₂

SMILES:

s1c(ccc1S(=O)(=O)N1CCCCC1)C

InChI:

InChI=1/C10H15NO2S2/c1-9-5-6-10(14-9)15(12,13)11-7-3-2-4-8-11/h5-6H,2-4,7-8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.8455 kcal/mol

Physical Properties
Molecular Weight: 245.367 g/mol	logS: -2.33099	SlogP: 2.23112	Reactive groups: 0

Topological Properties
Globularity: 0.0949279	Sterimol/B1: 2.74452	Sterimol/B2: 2.98833	Sterimol/B3: 4.63716
Sterimol/B4: 4.85379	Sterimol/L: 13.6135

Surface and Volume Properties
Accessible surface: 435.03	Positive charged surface: 262.866	Negative charged surface: 172.164	Volume: 218.125
Hydrophobic surface: 379.592	Hydrophilic surface: 55.438

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.