MMsINC Database Search


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MMsINC code: MMs02748280

Type: Neutral
Formula: C₁₉H₂₄O₂S

SMILES:

S(=O)(=O)(c1c(cc(cc1C)C)C)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C19H24O2S/c1-13-11-14(2)18(15(3)12-13)22(20,21)17-9-7-16(8-10-17)19(4,5)6/h7-12H,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.135 kcal/mol

Physical Properties
Molecular Weight: 316.465 g/mol	logS: -6.16387	SlogP: 4.74216	Reactive groups: 0

Topological Properties
Globularity: 0.153841	Sterimol/B1: 2.46012	Sterimol/B2: 4.73467	Sterimol/B3: 4.80901
Sterimol/B4: 6.83184	Sterimol/L: 15.1661

Surface and Volume Properties
Accessible surface: 554.175	Positive charged surface: 318.331	Negative charged surface: 235.845	Volume: 321.375
Hydrophobic surface: 458.503	Hydrophilic surface: 95.672

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.