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MMsINC code: MMs01298956

Type: Ionized
Formula: C₁₄H₈ClNO₆S-2

SMILES:

Clc1ccc(cc1S(=O)(=O)Nc1ccccc1C(=O)[O-])C(=O)[O-]

InChI:

InChI=1/C14H10ClNO6S/c15-10-6-5-8(13(17)18)7-12(10)23(21,22)16-11-4-2-1-3-9(11)14(19)20/h1-7,16H,(H,17,18)(H,19,20)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.9928 kcal/mol

Physical Properties
Molecular Weight: 353.738 g/mol	logS: -4.24071	SlogP: -0.1322	Reactive groups: 0

Topological Properties
Globularity: 0.103416	Sterimol/B1: 2.63907	Sterimol/B2: 3.07941	Sterimol/B3: 4.82762
Sterimol/B4: 7.25181	Sterimol/L: 14.3278

Surface and Volume Properties
Accessible surface: 505.412	Positive charged surface: 165.186	Negative charged surface: 340.226	Volume: 271.375
Hydrophobic surface: 282.262	Hydrophilic surface: 223.15

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 4	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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Parent related molecule:

MMs01298955
ENAMINE-ZINC03184596