MMsINC Database Search


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MMsINC code: MMs03325498

Type: Neutral
Formula: C₁₂H₁₂ClN₃O₄S₂

SMILES:

Clc1cc(S(=O)(=O)N)ccc1NS(=O)(=O)c1cc(N)ccc1

InChI:

InChI=1/C12H12ClN3O4S2/c13-11-7-9(21(15,17)18)4-5-12(11)16-22(19,20)10-3-1-2-8(14)6-10/h1-7,16H,14H2,(H2,15,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.9487 kcal/mol

Physical Properties
Molecular Weight: 361.83 g/mol	logS: -3.7285	SlogP: 1.3704	Reactive groups: 0

Topological Properties
Globularity: 0.148052	Sterimol/B1: 2.5521	Sterimol/B2: 3.11543	Sterimol/B3: 5.8557
Sterimol/B4: 6.72266	Sterimol/L: 14.7058

Surface and Volume Properties
Accessible surface: 524.973	Positive charged surface: 236.938	Negative charged surface: 288.034	Volume: 274.625
Hydrophobic surface: 256.004	Hydrophilic surface: 268.969

Pharmacophoric Properties
Hydrogen bond donors: 3	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

search links for this molecule:

Ions/Tautomers related molecules

MMs03325499
PUBCHEM-ZINC05616308