MMsINC Database Search


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MMsINC code: MMs01557447

Type: Neutral
Formula: C₁₉H₂₀N₂O₄S

SMILES:

S1(=O)(=O)N(CC(=O)N(Cc2ccccc2)C(C)C)C(=O)c2c1cccc2

InChI:

InChI=1/C19H20N2O4S/c1-14(2)20(12-15-8-4-3-5-9-15)18(22)13-21-19(23)16-10-6-7-11-17(16)26(21,24)25/h3-11,14H,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.8149 kcal/mol

Physical Properties
Molecular Weight: 372.445 g/mol	logS: -4.31537	SlogP: 2.5347	Reactive groups: 0

Topological Properties
Globularity: 0.0833903	Sterimol/B1: 2.32654	Sterimol/B2: 4.07477	Sterimol/B3: 5.21982
Sterimol/B4: 7.18907	Sterimol/L: 15.962

Surface and Volume Properties
Accessible surface: 588.215	Positive charged surface: 317.694	Negative charged surface: 270.521	Volume: 337.375
Hydrophobic surface: 435.154	Hydrophilic surface: 153.061

Pharmacophoric Properties
Hydrogen bond donors: 0	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.