MMsINC Database Search


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MMsINC code: MMs00282039

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(CC(=O)NCCc1ccccc1)c1cc(ccc1OC)C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.083 kcal/mol

Physical Properties
Molecular Weight: 376.477 g/mol	logS: -3.82468	SlogP: 2.12849	Reactive groups: 0

Topological Properties
Globularity: 0.107545	Sterimol/B1: 2.46313	Sterimol/B2: 3.46161	Sterimol/B3: 6.57328
Sterimol/B4: 6.84487	Sterimol/L: 17.6776

Surface and Volume Properties
Accessible surface: 653.401	Positive charged surface: 418.68	Negative charged surface: 234.721	Volume: 357.625
Hydrophobic surface: 569.14	Hydrophilic surface: 84.261

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.