MMsINC Database Search


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MMsINC code: MMs00268181

Type: Neutral
Formula: C₂₀H₂₆N₂O₅S

SMILES:

S(=O)(=O)(N(CCc1ccccc1)CC(=O)NCCOC)c1ccc(OC)cc1

InChI:

InChI=1/C20H26N2O5S/c1-26-15-13-21-20(23)16-22(14-12-17-6-4-3-5-7-17)28(24,25)19-10-8-18(27-2)9-11-19/h3-11H,12-16H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.1004 kcal/mol

Physical Properties
Molecular Weight: 406.503 g/mol	logS: -3.4934	SlogP: 1.69117	Reactive groups: 0

Topological Properties
Globularity: 0.1143	Sterimol/B1: 2.3469	Sterimol/B2: 3.33381	Sterimol/B3: 5.3581
Sterimol/B4: 12.3388	Sterimol/L: 15.3847

Surface and Volume Properties
Accessible surface: 688.855	Positive charged surface: 481.47	Negative charged surface: 207.385	Volume: 382.875
Hydrophobic surface: 592.69	Hydrophilic surface: 96.165

Pharmacophoric Properties
Hydrogen bond donors: 1	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.