MMsINC Database Search


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MMsINC code: MMs01973194

Type: Neutral
Formula: C₁₆H₁₉NO₂S

SMILES:

S(=O)(=O)(N(C)c1ccccc1)c1ccc(cc1)C(C)C

InChI:

InChI=1/C16H19NO2S/c1-13(2)14-9-11-16(12-10-14)20(18,19)17(3)15-7-5-4-6-8-15/h4-13H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.2628 kcal/mol

Physical Properties
Molecular Weight: 289.399 g/mol	logS: -4.62666	SlogP: 3.6351	Reactive groups: 0

Topological Properties
Globularity: 0.117742	Sterimol/B1: 3.22751	Sterimol/B2: 4.20149	Sterimol/B3: 4.55939
Sterimol/B4: 4.94711	Sterimol/L: 14.8681

Surface and Volume Properties
Accessible surface: 519.571	Positive charged surface: 318.614	Negative charged surface: 200.957	Volume: 285.25
Hydrophobic surface: 431.885	Hydrophilic surface: 87.686

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.