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MMsINC code: MMs03219543

Type: Neutral
Formula: C₇H₉Cl₂F₂NO₃S

SMILES:

ClC(Cl)(SCC(NC(=O)C)C(O)=O)C(F)F

InChI:

InChI=1/C7H9Cl2F2NO3S/c1-3(13)12-4(5(14)15)2-16-7(8,9)6(10)11/h4,6H,2H2,1H3,(H,12,13)(H,14,15)/t4-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.3802 kcal/mol

Physical Properties
Molecular Weight: 296.121 g/mol	logS: -2.92878	SlogP: 2.5452	Reactive groups: 0

Topological Properties
Globularity: 0.0824211	Sterimol/B1: 2.24031	Sterimol/B2: 3.32232	Sterimol/B3: 3.859
Sterimol/B4: 7.58301	Sterimol/L: 12.2616

Surface and Volume Properties
Accessible surface: 449.032	Positive charged surface: 172.523	Negative charged surface: 276.508	Volume: 213.625
Hydrophobic surface: 129.536	Hydrophilic surface: 319.496

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03219544
PUBCHEM-ZINC05167309