MMsINC Database Search


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MMsINC code: MMs00755362

Type: Neutral
Formula: C₁₅H₂₄OS

SMILES:

SCCCCCCOc1cc(cc(C)c1C)C

InChI:

InChI=1/C15H24OS/c1-12-10-13(2)14(3)15(11-12)16-8-6-4-5-7-9-17/h10-11,17H,4-9H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.0908 kcal/mol

Physical Properties
Molecular Weight: 252.422 g/mol	logS: -4.33911	SlogP: 4.48086	Reactive groups: 1

Topological Properties
Globularity: 0.0183079	Sterimol/B1: 1.969	Sterimol/B2: 2.5122	Sterimol/B3: 2.51425
Sterimol/B4: 7.71619	Sterimol/L: 18.3191

Surface and Volume Properties
Accessible surface: 566.078	Positive charged surface: 389.528	Negative charged surface: 176.549	Volume: 276.75
Hydrophobic surface: 509.19	Hydrophilic surface: 56.888

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.