MMsINC Database Search


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MMsINC code: MMs00378314

Type: Neutral
Formula: C₁₄H₂₂N₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCC1)c1cc(S(=O)(=O)NCCCC)ccc1

InChI:

InChI=1/C14H22N2O4S2/c1-2-3-9-15-21(17,18)13-7-6-8-14(12-13)22(19,20)16-10-4-5-11-16/h6-8,12,15H,2-5,9-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=0.0135613 kcal/mol

Physical Properties
Molecular Weight: 346.472 g/mol	logS: -2.733	SlogP: 1.5495	Reactive groups: 0

Topological Properties
Globularity: 0.098484	Sterimol/B1: 2.58713	Sterimol/B2: 3.90956	Sterimol/B3: 5.07782
Sterimol/B4: 7.01873	Sterimol/L: 16.5598

Surface and Volume Properties
Accessible surface: 580.621	Positive charged surface: 366.246	Negative charged surface: 214.376	Volume: 308.125
Hydrophobic surface: 419.006	Hydrophilic surface: 161.615

Pharmacophoric Properties
Hydrogen bond donors: 1	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.