MMsINC Database Search


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MMsINC code: MMs02146746

Type: Neutral
Formula: C₁₀H₁₁N₅O₂S

SMILES:

S(=O)(=O)(NNc1nc(ccn1)-c1cccnc1)C

InChI:

InChI=1/C10H11N5O2S/c1-18(16,17)15-14-10-12-6-4-9(13-10)8-3-2-5-11-7-8/h2-7,15H,1H3,(H,12,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6382 kcal/mol

Physical Properties
Molecular Weight: 265.297 g/mol	logS: -1.84443	SlogP: 0.4147	Reactive groups: 0

Topological Properties
Globularity: 0.0206355	Sterimol/B1: 2.61802	Sterimol/B2: 2.89605	Sterimol/B3: 3.47383
Sterimol/B4: 6.92323	Sterimol/L: 15.0263

Surface and Volume Properties
Accessible surface: 471.107	Positive charged surface: 290.82	Negative charged surface: 175.093	Volume: 225.75
Hydrophobic surface: 310.545	Hydrophilic surface: 160.562

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.