MMsINC Database Search


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MMsINC code: MMs00182329

Type: Neutral
Formula: C₂₀H₂₄N₂O₅S

SMILES:

S(=O)(=O)(N(CC(=O)N1CCOCC1)c1cc(OC)ccc1)c1ccc(cc1)C

InChI:

InChI=1/C20H24N2O5S/c1-16-6-8-19(9-7-16)28(24,25)22(17-4-3-5-18(14-17)26-2)15-20(23)21-10-12-27-13-11-21/h3-9,14H,10-13,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.906 kcal/mol

Physical Properties
Molecular Weight: 404.487 g/mol	logS: -4.00466	SlogP: 2.05772	Reactive groups: 0

Topological Properties
Globularity: 0.104842	Sterimol/B1: 2.71854	Sterimol/B2: 4.00643	Sterimol/B3: 5.71286
Sterimol/B4: 8.44019	Sterimol/L: 16.3083

Surface and Volume Properties
Accessible surface: 654.256	Positive charged surface: 435.559	Negative charged surface: 218.697	Volume: 369.625
Hydrophobic surface: 561.85	Hydrophilic surface: 92.406

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.