MMsINC Database Search


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MMsINC code: MMs02324128

Type: Neutral
Formula: C₁₀H₁₀N₂S₃

SMILES:

s1c2c(nc1SC(=S)N(C)C)cccc2

InChI:

InChI=1/C10H10N2S3/c1-12(2)10(13)15-9-11-7-5-3-4-6-8(7)14-9/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.0644 kcal/mol

Physical Properties
Molecular Weight: 254.402 g/mol	logS: -5.28757	SlogP: 3.2349	Reactive groups: 0

Topological Properties
Globularity: 0.0738345	Sterimol/B1: 2.34424	Sterimol/B2: 2.40894	Sterimol/B3: 4.3832
Sterimol/B4: 4.98834	Sterimol/L: 14.0822

Surface and Volume Properties
Accessible surface: 444.5	Positive charged surface: 248.646	Negative charged surface: 195.854	Volume: 223.375
Hydrophobic surface: 374.046	Hydrophilic surface: 70.454

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.