MMsINC Database Search


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MMsINC code: MMs01222858

Type: Neutral
Formula: C₁₇H₁₈S₂

SMILES:

S1Cc2cc(C)c(cc2CSC1c1ccccc1)C

InChI:

InChI=1/C17H18S2/c1-12-8-15-10-18-17(14-6-4-3-5-7-14)19-11-16(15)9-13(12)2/h3-9,17H,10-11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.5849 kcal/mol

Physical Properties
Molecular Weight: 286.463 g/mol	logS: -6.06107	SlogP: 6.11054	Reactive groups: 0

Topological Properties
Globularity: 0.122879	Sterimol/B1: 2.40345	Sterimol/B2: 3.82473	Sterimol/B3: 4.83891
Sterimol/B4: 5.61498	Sterimol/L: 15.196

Surface and Volume Properties
Accessible surface: 516.676	Positive charged surface: 296.36	Negative charged surface: 220.316	Volume: 284.5
Hydrophobic surface: 440.753	Hydrophilic surface: 75.923

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.