MMsINC Database Search


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MMsINC code: MMs02554950

Type: Neutral
Formula: C₁₀H₁₃NO₂S₂

SMILES:

S1CCN(S(=O)(=O)C)C1c1ccccc1

InChI:

InChI=1/C10H13NO2S2/c1-15(12,13)11-7-8-14-10(11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.0002 kcal/mol

Physical Properties
Molecular Weight: 243.351 g/mol	logS: -2.26393	SlogP: 1.7891	Reactive groups: 0

Topological Properties
Globularity: 0.223706	Sterimol/B1: 2.43732	Sterimol/B2: 3.72975	Sterimol/B3: 4.01342
Sterimol/B4: 7.0602	Sterimol/L: 10.9671

Surface and Volume Properties
Accessible surface: 405.573	Positive charged surface: 223.188	Negative charged surface: 182.385	Volume: 211.5
Hydrophobic surface: 300.901	Hydrophilic surface: 104.672

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