MMsINC Database Search


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MMsINC code: MMs01511522

Type: Neutral
Formula: C₁₂H₁₀ClN₃O₃S

SMILES:

Clc1ncc(S(=O)(=O)Nc2ccc(cc2)C(=O)N)cc1

InChI:

InChI=1/C12H10ClN3O3S/c13-11-6-5-10(7-15-11)20(18,19)16-9-3-1-8(2-4-9)12(14)17/h1-7,16H,(H2,14,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.3572 kcal/mol

Physical Properties
Molecular Weight: 311.749 g/mol	logS: -3.08625	SlogP: 1.6347	Reactive groups: 0

Topological Properties
Globularity: 0.189573	Sterimol/B1: 2.46122	Sterimol/B2: 3.94708	Sterimol/B3: 5.58327
Sterimol/B4: 6.3036	Sterimol/L: 12.7422

Surface and Volume Properties
Accessible surface: 483.813	Positive charged surface: 224.443	Negative charged surface: 259.37	Volume: 250.875
Hydrophobic surface: 274.485	Hydrophilic surface: 209.328

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: no related molecules available.