MMsINC Database Search


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MMsINC code: MMs02398484

Type: Neutral
Formula: C₂₆H₂₂S

SMILES:

S(C(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1ccccc1

InChI:

InChI=1/C26H22S/c1-5-13-22(14-6-1)21-27-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.969 kcal/mol

Physical Properties
Molecular Weight: 366.528 g/mol	logS: -7.65402	SlogP: 7.4898	Reactive groups: 0

Topological Properties
Globularity: 0.378033	Sterimol/B1: 5.13744	Sterimol/B2: 5.53488	Sterimol/B3: 6.55643
Sterimol/B4: 6.67291	Sterimol/L: 14.9793

Surface and Volume Properties
Accessible surface: 625.761	Positive charged surface: 336.942	Negative charged surface: 288.819	Volume: 377.375
Hydrophobic surface: 609.565	Hydrophilic surface: 16.196

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.