MMsINC Database Search


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MMsINC code: MMs01238578

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(NC(C)C)c1ccc(OCC(=O)N(Cc2ccccc2)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.601 kcal/mol

Physical Properties
Molecular Weight: 376.477 g/mol	logS: -3.76214	SlogP: 2.6771	Reactive groups: 0

Topological Properties
Globularity: 0.0516476	Sterimol/B1: 3.08053	Sterimol/B2: 3.33185	Sterimol/B3: 4.69788
Sterimol/B4: 6.13041	Sterimol/L: 19.0585

Surface and Volume Properties
Accessible surface: 654.7	Positive charged surface: 399.322	Negative charged surface: 255.378	Volume: 358.5
Hydrophobic surface: 492.87	Hydrophilic surface: 161.83

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.