MMsINC Database Search


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MMsINC code: MMs01428337

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(CC(=O)N(CCOc1ccccc1)C)C)c1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.3267 kcal/mol

Physical Properties
Molecular Weight: 376.477 g/mol	logS: -3.68366	SlogP: 2.15292	Reactive groups: 0

Topological Properties
Globularity: 0.138546	Sterimol/B1: 2.01354	Sterimol/B2: 4.38147	Sterimol/B3: 4.38374
Sterimol/B4: 8.18323	Sterimol/L: 16.9087

Surface and Volume Properties
Accessible surface: 640.157	Positive charged surface: 419.047	Negative charged surface: 221.11	Volume: 360.875
Hydrophobic surface: 569.372	Hydrophilic surface: 70.785

Pharmacophoric Properties
Hydrogen bond donors: 0	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.