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MMsINC code: MMs02568187

Type: Neutral
Formula: C₁₄H₁₁Cl₂NO₄S

SMILES:

Clc1cc(S(=O)(=O)N(C)c2ccccc2C(O)=O)ccc1Cl

InChI:

InChI=1/C14H11Cl2NO4S/c1-17(13-5-3-2-4-10(13)14(18)19)22(20,21)9-6-7-11(15)12(16)8-9/h2-8H,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.9929 kcal/mol

Physical Properties
Molecular Weight: 360.217 g/mol	logS: -4.56028	SlogP: 3.5167	Reactive groups: 0

Topological Properties
Globularity: 0.130507	Sterimol/B1: 2.14121	Sterimol/B2: 2.69885	Sterimol/B3: 5.43518
Sterimol/B4: 6.62454	Sterimol/L: 14.0748

Surface and Volume Properties
Accessible surface: 518.398	Positive charged surface: 227.533	Negative charged surface: 290.865	Volume: 284.375
Hydrophobic surface: 401.665	Hydrophilic surface: 116.733

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02568188
OTAVA-ZINC01926218