MMsINC Database Search


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MMsINC code: MMs02948915

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(CC(=O)NCc1ccccc1OC)CC)c1ccc(cc1)C

InChI:

InChI=1/C19H24N2O4S/c1-4-21(26(23,24)17-11-9-15(2)10-12-17)14-19(22)20-13-16-7-5-6-8-18(16)25-3/h5-12H,4,13-14H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.0191 kcal/mol

Physical Properties
Molecular Weight: 376.477 g/mol	logS: -4.09042	SlogP: 2.59702	Reactive groups: 0

Topological Properties
Globularity: 0.0848001	Sterimol/B1: 2.55456	Sterimol/B2: 3.60901	Sterimol/B3: 5.1636
Sterimol/B4: 7.7245	Sterimol/L: 17.9942

Surface and Volume Properties
Accessible surface: 647.072	Positive charged surface: 413.193	Negative charged surface: 233.879	Volume: 360.5
Hydrophobic surface: 528.935	Hydrophilic surface: 118.137

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.