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MMsINC code: MMs02822414

Type: Neutral
Formula: C₁₄H₁₃ClFN₃O₄S₂

SMILES:

Clc1cc2NC(NS(=O)(=O)c2cc1S(=O)(=O)N)Cc1ccc(F)cc1

InChI:

InChI=1/C14H13ClFN3O4S2/c15-10-6-11-13(7-12(10)24(17,20)21)25(22,23)19-14(18-11)5-8-1-3-9(16)4-2-8/h1-4,6-7,14,18-19H,5H2,(H2,17,20,21)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-6.77229 kcal/mol

Physical Properties
Molecular Weight: 405.858 g/mol	logS: -4.13414	SlogP: 1.39907	Reactive groups: 0

Topological Properties
Globularity: 0.0719756	Sterimol/B1: 3.22273	Sterimol/B2: 3.60082	Sterimol/B3: 5.17022
Sterimol/B4: 5.32845	Sterimol/L: 15.4043

Surface and Volume Properties
Accessible surface: 547.053	Positive charged surface: 243.811	Negative charged surface: 303.242	Volume: 304.75
Hydrophobic surface: 311.629	Hydrophilic surface: 235.424

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs02822415
PUBCHEM-ZINC01843075