MMsINC Database Search


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MMsINC code: MMs02671900

Type: Neutral
Formula: C₁₈H₂₀S₂

SMILES:

S1Cc2cc(cc(CSCc3cc(cc(C1)c3)C)c2)C

InChI:

InChI=1/C18H20S2/c1-13-3-15-7-16(4-13)10-20-12-18-6-14(2)5-17(8-18)11-19-9-15/h3-8H,9-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.3801 kcal/mol

Physical Properties
Molecular Weight: 300.49 g/mol	logS: -6.1539	SlogP: 6.54924	Reactive groups: 0

Topological Properties
Globularity: 0.150637	Sterimol/B1: 2.26724	Sterimol/B2: 4.8174	Sterimol/B3: 5.06097
Sterimol/B4: 5.1852	Sterimol/L: 14.6947

Surface and Volume Properties
Accessible surface: 510.368	Positive charged surface: 312.487	Negative charged surface: 197.881	Volume: 301
Hydrophobic surface: 405.917	Hydrophilic surface: 104.451

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.