MMsINC Database Search


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MMsINC code: MMs00262588

Type: Neutral
Formula: C₂₀H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(CC(=O)NCC=C)c1ccccc1OCC)c1ccc(cc1)C

InChI:

InChI=1/C20H24N2O4S/c1-4-14-21-20(23)15-22(18-8-6-7-9-19(18)26-5-2)27(24,25)17-12-10-16(3)11-13-17/h4,6-13H,1,5,14-15H2,2-3H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.9874 kcal/mol

Physical Properties
Molecular Weight: 388.488 g/mol	logS: -4.64261	SlogP: 2.89122	Reactive groups: 0

Topological Properties
Globularity: 0.12975	Sterimol/B1: 2.35735	Sterimol/B2: 3.65687	Sterimol/B3: 6.8743
Sterimol/B4: 8.32806	Sterimol/L: 16.8263

Surface and Volume Properties
Accessible surface: 655.741	Positive charged surface: 398.276	Negative charged surface: 257.466	Volume: 369.875
Hydrophobic surface: 503.992	Hydrophilic surface: 151.749

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.