MMsINC Database Search


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MMsINC code: MMs01850008

Type: Neutral
Formula: C₁₂H₂₀N₂O₂S₂

SMILES:

s1cccc1CN(S(=O)(=O)N(C)C)C1CCCC1

InChI:

InChI=1/C12H20N2O2S2/c1-13(2)18(15,16)14(11-6-3-4-7-11)10-12-8-5-9-17-12/h5,8-9,11H,3-4,6-7,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.837 kcal/mol

Physical Properties
Molecular Weight: 288.436 g/mol	logS: -1.77794	SlogP: 2.5655	Reactive groups: 0

Topological Properties
Globularity: 0.294964	Sterimol/B1: 2.05074	Sterimol/B2: 2.67169	Sterimol/B3: 5.57962
Sterimol/B4: 7.94835	Sterimol/L: 11.4224

Surface and Volume Properties
Accessible surface: 451.065	Positive charged surface: 302.621	Negative charged surface: 148.444	Volume: 263.125
Hydrophobic surface: 388.22	Hydrophilic surface: 62.845

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.