MMsINC Database Search


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MMsINC code: MMs02116078

Type: Neutral
Formula: C₁₅H₁₀Cl₂N₂S₂

SMILES:

Clc1cc(Cl)ccc1Sc1nc(SC)nc2c1cccc2

InChI:

InChI=1/C15H10Cl2N2S2/c1-20-15-18-12-5-3-2-4-10(12)14(19-15)21-13-7-6-9(16)8-11(13)17/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.4709 kcal/mol

Physical Properties
Molecular Weight: 353.297 g/mol	logS: -8.38266	SlogP: 5.8097	Reactive groups: 0

Topological Properties
Globularity: 0.143607	Sterimol/B1: 2.4801	Sterimol/B2: 4.06853	Sterimol/B3: 4.89798
Sterimol/B4: 8.50439	Sterimol/L: 13.9335

Surface and Volume Properties
Accessible surface: 538.284	Positive charged surface: 197.449	Negative charged surface: 337.581	Volume: 294
Hydrophobic surface: 434.211	Hydrophilic surface: 104.073

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.