MMsINC Database Search


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MMsINC code: MMs02335215

Type: Neutral
Formula: C₁₆H₁₉NO₂S

SMILES:

S(=O)(=O)(NCCCc1ccccc1)c1ccc(cc1)C

InChI:

InChI=1/C16H19NO2S/c1-14-9-11-16(12-10-14)20(18,19)17-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.6032 kcal/mol

Physical Properties
Molecular Weight: 289.399 g/mol	logS: -3.72792	SlogP: 2.90609	Reactive groups: 0

Topological Properties
Globularity: 0.0685246	Sterimol/B1: 2.17325	Sterimol/B2: 3.39757	Sterimol/B3: 3.93523
Sterimol/B4: 7.02459	Sterimol/L: 17.3308

Surface and Volume Properties
Accessible surface: 555.569	Positive charged surface: 311.442	Negative charged surface: 244.128	Volume: 284.75
Hydrophobic surface: 473.374	Hydrophilic surface: 82.195

Pharmacophoric Properties
Hydrogen bond donors: 1	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.