MMsINC Database Search


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MMsINC code: MMs01695268

Type: Neutral
Formula: C₁₅H₁₉NO₂S

SMILES:

S(=O)(=O)(NC(CC)(C)C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C15H19NO2S/c1-4-15(2,3)16-19(17,18)14-10-9-12-7-5-6-8-13(12)11-14/h5-11,16H,4H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.2694 kcal/mol

Physical Properties
Molecular Weight: 277.388 g/mol	logS: -4.28414	SlogP: 3.3067	Reactive groups: 0

Topological Properties
Globularity: 0.173264	Sterimol/B1: 2.21028	Sterimol/B2: 2.53712	Sterimol/B3: 5.12248
Sterimol/B4: 6.8401	Sterimol/L: 13.4169

Surface and Volume Properties
Accessible surface: 481.947	Positive charged surface: 261.592	Negative charged surface: 210.108	Volume: 263
Hydrophobic surface: 363.734	Hydrophilic surface: 118.213

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.