MMsINC Database Search


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MMsINC code: MMs02408853

Type: Neutral
Formula: C₁₁H₁₅NO₂S₂

SMILES:

S(=O)(=O)(N=S1CCCC1)c1ccc(cc1)C

InChI:

InChI=1/C11H15NO2S2/c1-10-4-6-11(7-5-10)16(13,14)12-15-8-2-3-9-15/h4-7H,2-3,8-9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.9275 kcal/mol

Physical Properties
Molecular Weight: 257.378 g/mol	logS: -3.52961	SlogP: 2.38452	Reactive groups: 0

Topological Properties
Globularity: 0.106216	Sterimol/B1: 2.82996	Sterimol/B2: 3.1624	Sterimol/B3: 4.57428
Sterimol/B4: 4.93101	Sterimol/L: 14.2253

Surface and Volume Properties
Accessible surface: 463.916	Positive charged surface: 280.448	Negative charged surface: 183.468	Volume: 231.125
Hydrophobic surface: 390.354	Hydrophilic surface: 73.562

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 3	Basic groups: 1
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.