MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02855828

Type: Neutral
Formula: C₇H₄ClNO₃S

SMILES:

Clc1cc2c(S(=O)(=O)NC2=O)cc1

InChI:

InChI=1/C7H4ClNO3S/c8-4-1-2-6-5(3-4)7(10)9-13(6,11)12/h1-3H,(H,9,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=0.448541 kcal/mol

Physical Properties
Molecular Weight: 217.632 g/mol	logS: -2.66675	SlogP: 0.7721	Reactive groups: 0

Topological Properties
Globularity: 0.0417564	Sterimol/B1: 3.06524	Sterimol/B2: 3.06691	Sterimol/B3: 3.16924
Sterimol/B4: 5.13335	Sterimol/L: 10.6542

Surface and Volume Properties
Accessible surface: 348.44	Positive charged surface: 115.591	Negative charged surface: 232.849	Volume: 155.25
Hydrophobic surface: 186.941	Hydrophilic surface: 161.499

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.