MMsINC Database Search


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MMsINC code: MMs02103611

Type: Neutral
Formula: C₁₉H₂₄O₃S

SMILES:

S(=O)(=O)(Cc1ccc(cc1)C(C)(C)C)CCOc1ccccc1

InChI:

InChI=1/C19H24O3S/c1-19(2,3)17-11-9-16(10-12-17)15-23(20,21)14-13-22-18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.3035 kcal/mol

Physical Properties
Molecular Weight: 332.464 g/mol	logS: -5.33391	SlogP: 4.2443	Reactive groups: 0

Topological Properties
Globularity: 0.0398698	Sterimol/B1: 2.8959	Sterimol/B2: 3.32206	Sterimol/B3: 4.33977
Sterimol/B4: 4.96109	Sterimol/L: 19.9483

Surface and Volume Properties
Accessible surface: 616.128	Positive charged surface: 368.146	Negative charged surface: 247.982	Volume: 331.25
Hydrophobic surface: 505.507	Hydrophilic surface: 110.621

Pharmacophoric Properties
Hydrogen bond donors: 0	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.