MMsINC Database Search


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MMsINC code: MMs02293705

Type: Neutral
Formula: C₇H₇Cl₂N₃O₃S

SMILES:

Clc1cc(S(=O)(=O)N)cc(Cl)c1NC(=O)N

InChI:

InChI=1/C7H7Cl2N3O3S/c8-4-1-3(16(11,14)15)2-5(9)6(4)12-7(10)13/h1-2H,(H3,10,12,13)(H2,11,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=5.70131 kcal/mol

Physical Properties
Molecular Weight: 284.123 g/mol	logS: -3.22937	SlogP: 1.1314	Reactive groups: 0

Topological Properties
Globularity: 0.0916043	Sterimol/B1: 2.29856	Sterimol/B2: 3.57907	Sterimol/B3: 3.85044
Sterimol/B4: 5.92226	Sterimol/L: 12.6165

Surface and Volume Properties
Accessible surface: 430.086	Positive charged surface: 171.552	Negative charged surface: 258.533	Volume: 199.125
Hydrophobic surface: 181.079	Hydrophilic surface: 249.007

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs02293706
NCID-ZINC01655064