MMsINC Database Search


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MMsINC code: MMs00735661

Type: Neutral
Formula: C₁₈H₃₀OS

SMILES:

S(C(C)C)CCCCCOc1ccccc1C(C)(C)C

InChI:

InChI=1/C18H30OS/c1-15(2)20-14-10-6-9-13-19-17-12-8-7-11-16(17)18(3,4)5/h7-8,11-12,15H,6,9-10,13-14H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8642 kcal/mol

Physical Properties
Molecular Weight: 294.503 g/mol	logS: -5.393	SlogP: 5.6748	Reactive groups: 0

Topological Properties
Globularity: 0.0316745	Sterimol/B1: 3.12126	Sterimol/B2: 3.42986	Sterimol/B3: 4.11871
Sterimol/B4: 6.59235	Sterimol/L: 18.6362

Surface and Volume Properties
Accessible surface: 610.042	Positive charged surface: 421.446	Negative charged surface: 188.596	Volume: 329.875
Hydrophobic surface: 489.77	Hydrophilic surface: 120.272

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.