MMsINC Database Search


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MMsINC code: MMs02280111

Type: Neutral
Formula: C₂₄H₂₆S₃

SMILES:

S(Cc1ccccc1)C(SCc1ccccc1)CCSCc1ccccc1

InChI:

InChI=1/C24H26S3/c1-4-10-21(11-5-1)18-25-17-16-24(26-19-22-12-6-2-7-13-22)27-20-23-14-8-3-9-15-23/h1-15,24H,16-20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.6464 kcal/mol

Physical Properties
Molecular Weight: 410.67 g/mol	logS: -7.95238	SlogP: 8.302	Reactive groups: 0

Topological Properties
Globularity: 0.0637406	Sterimol/B1: 3.3987	Sterimol/B2: 4.97017	Sterimol/B3: 7.05048
Sterimol/B4: 8.56522	Sterimol/L: 18.8026

Surface and Volume Properties
Accessible surface: 747.858	Positive charged surface: 416.155	Negative charged surface: 331.703	Volume: 418.625
Hydrophobic surface: 663.416	Hydrophilic surface: 84.442

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: 0

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Ions/Tautomers related molecules: no related molecules available.