MMsINC Database Search


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MMsINC code: MMs02279452

Type: Neutral
Formula: C₆H₆Cl₂N₂O₃S

SMILES:

Clc1cc(N)c(S(=O)(=O)NO)cc1Cl

InChI:

InChI=1/C6H6Cl2N2O3S/c7-3-1-5(9)6(2-4(3)8)14(12,13)10-11/h1-2,10-11H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.2789 kcal/mol

Physical Properties
Molecular Weight: 257.097 g/mol	logS: -2.60434	SlogP: 1.2431	Reactive groups: 0

Topological Properties
Globularity: 0.109992	Sterimol/B1: 2.69234	Sterimol/B2: 2.86314	Sterimol/B3: 3.63393
Sterimol/B4: 5.66565	Sterimol/L: 10.9217

Surface and Volume Properties
Accessible surface: 381.687	Positive charged surface: 140.085	Negative charged surface: 241.601	Volume: 179.125
Hydrophobic surface: 204.075	Hydrophilic surface: 177.612

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: no related molecules available.