MMsINC Database Search


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MMsINC code: MMs00486729

Type: Neutral
Formula: C₁₄H₂₀N₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCCC1)c1cc2CCN(S(=O)(=O)C)c2cc1

InChI:

InChI=1/C14H20N2O4S2/c1-21(17,18)16-10-7-12-11-13(5-6-14(12)16)22(19,20)15-8-3-2-4-9-15/h5-6,11H,2-4,7-10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.4951 kcal/mol

Physical Properties
Molecular Weight: 344.456 g/mol	logS: -2.15002	SlogP: 1.18327	Reactive groups: 0

Topological Properties
Globularity: 0.0972487	Sterimol/B1: 2.27973	Sterimol/B2: 2.32071	Sterimol/B3: 5.90156
Sterimol/B4: 6.49796	Sterimol/L: 15.6498

Surface and Volume Properties
Accessible surface: 540.956	Positive charged surface: 339.091	Negative charged surface: 201.866	Volume: 297.125
Hydrophobic surface: 426.36	Hydrophilic surface: 114.596

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.