MMsINC Database Search


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MMsINC code: MMs00220963

Type: Neutral
Formula: C₁₅H₂₄N₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCCC1)c1ccc(S(=O)(=O)N(CC)CC)cc1

InChI:

InChI=1/C15H24N2O4S2/c1-3-16(4-2)22(18,19)14-8-10-15(11-9-14)23(20,21)17-12-6-5-7-13-17/h8-11H,3-7,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.68 kcal/mol

Physical Properties
Molecular Weight: 360.499 g/mol	logS: -2.62057	SlogP: 1.8917	Reactive groups: 0

Topological Properties
Globularity: 0.0562503	Sterimol/B1: 2.5013	Sterimol/B2: 3.25733	Sterimol/B3: 5.20617
Sterimol/B4: 5.97036	Sterimol/L: 17.1293

Surface and Volume Properties
Accessible surface: 571.99	Positive charged surface: 361.199	Negative charged surface: 210.791	Volume: 325
Hydrophobic surface: 425.55	Hydrophilic surface: 146.44

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.