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MMsINC code: MMs03384497

Type: Neutral
Formula: C₇H₇ClN₂O₄S

SMILES:

Clc1cc(N)c(cc1S(=O)(=O)N)C(O)=O

InChI:

InChI=1/C7H7ClN2O4S/c8-4-2-5(9)3(7(11)12)1-6(4)15(10,13)14/h1-2H,9H2,(H,11,12)(H2,10,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.1292 kcal/mol

Physical Properties
Molecular Weight: 250.662 g/mol	logS: -2.03606	SlogP: 0.2678	Reactive groups: 0

Topological Properties
Globularity: 0.0546655	Sterimol/B1: 3.07671	Sterimol/B2: 3.18267	Sterimol/B3: 3.59449
Sterimol/B4: 5.3421	Sterimol/L: 11.1095

Surface and Volume Properties
Accessible surface: 384.735	Positive charged surface: 184.581	Negative charged surface: 200.154	Volume: 182.125
Hydrophobic surface: 125.992	Hydrophilic surface: 258.743

Pharmacophoric Properties
Hydrogen bond donors: 4	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

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Ions/Tautomers related molecules

MMs03384498
PUBCHEM-ZINC05783849