MMsINC Database Search


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MMsINC code: MMs01527562

Type: Neutral
Formula: C₁₁H₁₅ClN₄O₃S₂

SMILES:

Clc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=S)NN

InChI:

InChI=1/C11H15ClN4O3S2/c12-9-2-1-8(7-10(9)14-11(20)15-13)21(17,18)16-3-5-19-6-4-16/h1-2,7H,3-6,13H2,(H2,14,15,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.478 kcal/mol

Physical Properties
Molecular Weight: 350.851 g/mol	logS: -3.48851	SlogP: 0.521	Reactive groups: 0

Topological Properties
Globularity: 0.0786647	Sterimol/B1: 3.08292	Sterimol/B2: 3.56137	Sterimol/B3: 4.09465
Sterimol/B4: 7.06291	Sterimol/L: 14.7302

Surface and Volume Properties
Accessible surface: 530.64	Positive charged surface: 304.034	Negative charged surface: 226.606	Volume: 279.75
Hydrophobic surface: 306.796	Hydrophilic surface: 223.844

Pharmacophoric Properties
Hydrogen bond donors: 3	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.