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MMsINC code: MMs00103793

Type: Neutral
Formula: C₁₀H₁₆N₂O₂S₂

SMILES:

s1cccc1CN1CCN(S(=O)(=O)C)CC1

InChI:

InChI=1/C10H16N2O2S2/c1-16(13,14)12-6-4-11(5-7-12)9-10-3-2-8-15-10/h2-3,8H,4-7,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.7785 kcal/mol

Physical Properties
Molecular Weight: 260.382 g/mol	logS: -1.09588	SlogP: 1.0917	Reactive groups: 0

Topological Properties
Globularity: 0.123356	Sterimol/B1: 2.23541	Sterimol/B2: 2.82783	Sterimol/B3: 4.56155
Sterimol/B4: 5.11112	Sterimol/L: 13.6937

Surface and Volume Properties
Accessible surface: 448.801	Positive charged surface: 263.828	Negative charged surface: 184.973	Volume: 230.875
Hydrophobic surface: 374.961	Hydrophilic surface: 73.84

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs00103794
ASINEX-ZINC00268320