MMsINC Database Search


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MMsINC code: MMs00104484

Type: Neutral
Formula: C₁₁H₁₄N₆O₂S

SMILES:

S(=O)(=O)(Nc1nc(cc(n1)NN)C)c1ccc(N)cc1

InChI:

InChI=1/C11H14N6O2S/c1-7-6-10(16-13)15-11(14-7)17-20(18,19)9-4-2-8(12)3-5-9/h2-6H,12-13H2,1H3,(H2,14,15,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.092 kcal/mol

Physical Properties
Molecular Weight: 294.339 g/mol	logS: -2.59766	SlogP: 0.45362	Reactive groups: 0

Topological Properties
Globularity: 0.264802	Sterimol/B1: 2.33757	Sterimol/B2: 2.56355	Sterimol/B3: 6.44442
Sterimol/B4: 6.84481	Sterimol/L: 12.8896

Surface and Volume Properties
Accessible surface: 490.691	Positive charged surface: 305.508	Negative charged surface: 185.182	Volume: 252.625
Hydrophobic surface: 238.501	Hydrophilic surface: 252.19

Pharmacophoric Properties
Hydrogen bond donors: 4	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.