MMsINC Database Search


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MMsINC code: MMs02280105

Type: Neutral
Formula: C₂₀H₂₄S₂

SMILES:

S(Cc1ccccc1)C1(SCc2ccccc2)CCCCC1

InChI:

InChI=1/C20H24S2/c1-4-10-18(11-5-1)16-21-20(14-8-3-9-15-20)22-17-19-12-6-2-7-13-19/h1-2,4-7,10-13H,3,8-9,14-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.3809 kcal/mol

Physical Properties
Molecular Weight: 328.544 g/mol	logS: -6.6372	SlogP: 7.0464	Reactive groups: 0

Topological Properties
Globularity: 0.0913365	Sterimol/B1: 3.17774	Sterimol/B2: 3.97996	Sterimol/B3: 4.95599
Sterimol/B4: 7.73509	Sterimol/L: 15.2876

Surface and Volume Properties
Accessible surface: 588.573	Positive charged surface: 347.479	Negative charged surface: 241.093	Volume: 341
Hydrophobic surface: 546.212	Hydrophilic surface: 42.361

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