MMsINC Database Search


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MMsINC code: MMs02443893

Type: Neutral
Formula: C₁₆H₂₄OS

SMILES:

S(=O)(C1CCC(CC1)C(C)(C)C)c1ccccc1

InChI:

InChI=1/C16H24OS/c1-16(2,3)13-9-11-15(12-10-13)18(17)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/t13-,15-,18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0806 kcal/mol

Physical Properties
Molecular Weight: 264.433 g/mol	logS: -5.20707	SlogP: 4.3991	Reactive groups: 0

Topological Properties
Globularity: 0.109589	Sterimol/B1: 3.24807	Sterimol/B2: 3.97117	Sterimol/B3: 4.32646
Sterimol/B4: 4.40984	Sterimol/L: 14.4015

Surface and Volume Properties
Accessible surface: 497.594	Positive charged surface: 322.83	Negative charged surface: 174.764	Volume: 274.75
Hydrophobic surface: 401.718	Hydrophilic surface: 95.876

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.