MMsINC Database Search


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MMsINC code: MMs03480512

Type: Neutral
Formula: C₉H₁₀N₄O₂S₂

SMILES:

s1c(nnc1N)-c1ccccc1S(=O)(=O)NC

InChI:

InChI=1/C9H10N4O2S2/c1-11-17(14,15)7-5-3-2-4-6(7)8-12-13-9(10)16-8/h2-5,11H,1H3,(H2,10,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.3198 kcal/mol

Physical Properties
Molecular Weight: 270.337 g/mol	logS: -3.56761	SlogP: 0.6954	Reactive groups: 0

Topological Properties
Globularity: 0.115053	Sterimol/B1: 2.10617	Sterimol/B2: 2.15565	Sterimol/B3: 5.17803
Sterimol/B4: 7.60468	Sterimol/L: 12.5032

Surface and Volume Properties
Accessible surface: 430.815	Positive charged surface: 244.612	Negative charged surface: 186.203	Volume: 218.125
Hydrophobic surface: 255.574	Hydrophilic surface: 175.241

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.