MMsINC Database Search


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MMsINC code: MMs00176381

Type: Neutral
Formula: C₁₅H₁₈N₂O₄S₃

SMILES:

s1cccc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1

InChI:

InChI=1/C15H18N2O4S3/c18-23(19,15-5-4-12-22-15)16-13-6-8-14(9-7-13)24(20,21)17-10-2-1-3-11-17/h4-9,12,16H,1-3,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.933 kcal/mol

Physical Properties
Molecular Weight: 386.517 g/mol	logS: -3.67944	SlogP: 2.7235	Reactive groups: 0

Topological Properties
Globularity: 0.0748988	Sterimol/B1: 2.774	Sterimol/B2: 3.19732	Sterimol/B3: 4.61705
Sterimol/B4: 6.19152	Sterimol/L: 16.5661

Surface and Volume Properties
Accessible surface: 577.343	Positive charged surface: 313.038	Negative charged surface: 264.305	Volume: 321.375
Hydrophobic surface: 438.504	Hydrophilic surface: 138.839

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.