MMsINC Database Search


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MMsINC code: MMs02932185

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(Cc1ccc(cc1)C)c1ccc(cc1)C(=O)NCCOC)C

InChI:

InChI=1/C19H24N2O4S/c1-15-4-6-16(7-5-15)14-21(26(3,23)24)18-10-8-17(9-11-18)19(22)20-12-13-25-2/h4-11H,12-14H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.4396 kcal/mol

Physical Properties
Molecular Weight: 376.477 g/mol	logS: -3.82903	SlogP: 2.60382	Reactive groups: 0

Topological Properties
Globularity: 0.124606	Sterimol/B1: 2.03909	Sterimol/B2: 3.30831	Sterimol/B3: 5.83118
Sterimol/B4: 9.11328	Sterimol/L: 15.8194

Surface and Volume Properties
Accessible surface: 641.579	Positive charged surface: 414.145	Negative charged surface: 227.434	Volume: 359
Hydrophobic surface: 524.061	Hydrophilic surface: 117.518

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.