MMsINC Database Search


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MMsINC code: MMs00351533

Type: Neutral
Formula: C₁₀H₁₄N₄O₃S

SMILES:

S(=O)(=O)(NC(=O)C)c1ccc(N=NN(C)C)cc1

InChI:

InChI=1/C10H14N4O3S/c1-8(15)12-18(16,17)10-6-4-9(5-7-10)11-13-14(2)3/h4-7H,1-3H3,(H,12,15)/b13-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=13.19 kcal/mol

Physical Properties
Molecular Weight: 270.313 g/mol	logS: -1.65923	SlogP: 1.0717	Reactive groups: 0

Topological Properties
Globularity: 0.0741459	Sterimol/B1: 2.46994	Sterimol/B2: 2.54485	Sterimol/B3: 5.35976
Sterimol/B4: 6.09441	Sterimol/L: 15.106

Surface and Volume Properties
Accessible surface: 496.287	Positive charged surface: 320.241	Negative charged surface: 176.047	Volume: 237.5
Hydrophobic surface: 387.094	Hydrophilic surface: 109.193

Pharmacophoric Properties
Hydrogen bond donors: 1	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.