MMsINC Database Search


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MMsINC code: MMs02187253

Type: Neutral
Formula: C₁₈H₂₀N₂S₄

SMILES:

S(C(SC)=Nc1ccc(cc1)-c1ccc(N=C(SC)SC)cc1)C

InChI:

InChI=1/C18H20N2S4/c1-21-17(22-2)19-15-9-5-13(6-10-15)14-7-11-16(12-8-14)20-18(23-3)24-4/h5-12H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.1043 kcal/mol

Physical Properties
Molecular Weight: 392.636 g/mol	logS: -8.9139	SlogP: 6.7806	Reactive groups: 0

Topological Properties
Globularity: 0.0679499	Sterimol/B1: 2.45672	Sterimol/B2: 2.62778	Sterimol/B3: 5.28378
Sterimol/B4: 6.26618	Sterimol/L: 20.2004

Surface and Volume Properties
Accessible surface: 662.804	Positive charged surface: 344.452	Negative charged surface: 307.756	Volume: 367
Hydrophobic surface: 540.703	Hydrophilic surface: 122.101

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.