MMsINC Database Search


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MMsINC code: MMs01986522

Type: Neutral
Formula: C₁₉H₃₂N₂O₂S

SMILES:

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

InChI:

InChI=1/C19H32N2O2S/c1-3-5-14-20(15-6-4-2)18-10-12-19(13-11-18)24(22,23)21-16-8-7-9-17-21/h10-13H,3-9,14-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.3895 kcal/mol

Physical Properties
Molecular Weight: 352.543 g/mol	logS: -4.0684	SlogP: 4.2678	Reactive groups: 0

Topological Properties
Globularity: 0.0692163	Sterimol/B1: 2.17161	Sterimol/B2: 3.6302	Sterimol/B3: 4.34035
Sterimol/B4: 11.1219	Sterimol/L: 16.6538

Surface and Volume Properties
Accessible surface: 653.776	Positive charged surface: 469.429	Negative charged surface: 184.347	Volume: 364.25
Hydrophobic surface: 544.489	Hydrophilic surface: 109.287

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.