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MMsINC code: MMs02625114

Type: Neutral
Formula: C₁₄H₁₂ClN₃O₃S

SMILES:

Clc1cc2NC(NC(=O)c2cc1S(=O)(=O)N)c1ccccc1

InChI:

InChI=1/C14H12ClN3O3S/c15-10-7-11-9(6-12(10)22(16,20)21)14(19)18-13(17-11)8-4-2-1-3-5-8/h1-7,13,17H,(H,18,19)(H2,16,20,21)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.9306 kcal/mol

Physical Properties
Molecular Weight: 337.787 g/mol	logS: -4.08584	SlogP: 1.937	Reactive groups: 0

Topological Properties
Globularity: 0.230978	Sterimol/B1: 2.42352	Sterimol/B2: 3.23	Sterimol/B3: 5.08936
Sterimol/B4: 6.92584	Sterimol/L: 12.7748

Surface and Volume Properties
Accessible surface: 506.149	Positive charged surface: 243.752	Negative charged surface: 262.397	Volume: 273.625
Hydrophobic surface: 301.2	Hydrophilic surface: 204.949

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

MMs02625115
PUBCHEM-ZINC00000305