MMsINC Database Search


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MMsINC code: MMs01062408

Type: Neutral
Formula: C₁₁H₁₄N₂O₂S₂

SMILES:

S(C)C1=NS(=O)(=O)c2c(N1CCC)cccc2

InChI:

InChI=1/C11H14N2O2S2/c1-3-8-13-9-6-4-5-7-10(9)17(14,15)12-11(13)16-2/h4-7H,3,8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.3505 kcal/mol

Physical Properties
Molecular Weight: 270.377 g/mol	logS: -3.55402	SlogP: 2.3243	Reactive groups: 0

Topological Properties
Globularity: 0.0764293	Sterimol/B1: 2.15231	Sterimol/B2: 2.67062	Sterimol/B3: 3.47491
Sterimol/B4: 8.16069	Sterimol/L: 11.8829

Surface and Volume Properties
Accessible surface: 453.488	Positive charged surface: 239.737	Negative charged surface: 213.751	Volume: 235
Hydrophobic surface: 315.698	Hydrophilic surface: 137.79

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: no related molecules available.