MMsINC Database Search


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MMsINC code: MMs00892868

Type: Neutral
Formula: C₁₉H₂₃NO₄S

SMILES:

S(=O)(=O)(CCC(=O)NCCc1ccc(cc1)C)c1ccc(OC)cc1

InChI:

InChI=1/C19H23NO4S/c1-15-3-5-16(6-4-15)11-13-20-19(21)12-14-25(22,23)18-9-7-17(24-2)8-10-18/h3-10H,11-14H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.0503 kcal/mol

Physical Properties
Molecular Weight: 361.462 g/mol	logS: -3.93373	SlogP: 2.52629	Reactive groups: 0

Topological Properties
Globularity: 0.0383332	Sterimol/B1: 2.56553	Sterimol/B2: 3.7043	Sterimol/B3: 4.12267
Sterimol/B4: 6.70331	Sterimol/L: 22.0685

Surface and Volume Properties
Accessible surface: 664.262	Positive charged surface: 410.795	Negative charged surface: 253.466	Volume: 347.375
Hydrophobic surface: 550.864	Hydrophilic surface: 113.398

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.