MMsINC Database Search


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MMsINC code: MMs01622352

Type: Neutral
Formula: C₁₉H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N(CCCC)C)c1ccc(NC(=O)c2ccc(cc2)C)cc1

InChI:

InChI=1/C19H24N2O3S/c1-4-5-14-21(3)25(23,24)18-12-10-17(11-13-18)20-19(22)16-8-6-15(2)7-9-16/h6-13H,4-5,14H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.664 kcal/mol

Physical Properties
Molecular Weight: 360.478 g/mol	logS: -4.78655	SlogP: 3.66792	Reactive groups: 0

Topological Properties
Globularity: 0.0425774	Sterimol/B1: 2.42609	Sterimol/B2: 3.31686	Sterimol/B3: 4.46927
Sterimol/B4: 8.86707	Sterimol/L: 17.9301

Surface and Volume Properties
Accessible surface: 632.938	Positive charged surface: 392.381	Negative charged surface: 240.556	Volume: 351.75
Hydrophobic surface: 516.333	Hydrophilic surface: 116.605

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.