MMsINC Database Search


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MMsINC code: MMs00208265

Type: Neutral
Formula: C₁₉H₂₂N₂O₄S

SMILES:

S(=O)(=O)(N(CC(=O)NC1CC1)c1cc(OC)ccc1)c1ccc(cc1)C

InChI:

InChI=1/C19H22N2O4S/c1-14-6-10-18(11-7-14)26(23,24)21(13-19(22)20-15-8-9-15)16-4-3-5-17(12-16)25-2/h3-7,10-12,15H,8-9,13H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.342 kcal/mol

Physical Properties
Molecular Weight: 374.461 g/mol	logS: -4.37155	SlogP: 2.47752	Reactive groups: 0

Topological Properties
Globularity: 0.0729275	Sterimol/B1: 2.35922	Sterimol/B2: 4.87789	Sterimol/B3: 5.56005
Sterimol/B4: 8.05196	Sterimol/L: 16.4629

Surface and Volume Properties
Accessible surface: 644.304	Positive charged surface: 394.019	Negative charged surface: 250.285	Volume: 349.375
Hydrophobic surface: 504.024	Hydrophilic surface: 140.28

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.