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MMsINC code: MMs02716202

Type: Neutral
Formula: C₁₉H₁₆ClN₃O₃S

SMILES:

Clc1cc(S(=O)(=O)Nc2ccc(cc2)C(=O)NCc2ncccc2)ccc1

InChI:

InChI=1/C19H16ClN3O3S/c20-15-4-3-6-18(12-15)27(25,26)23-16-9-7-14(8-10-16)19(24)22-13-17-5-1-2-11-21-17/h1-12,23H,13H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.8346 kcal/mol

Physical Properties
Molecular Weight: 401.874 g/mol	logS: -4.58982	SlogP: 3.7322	Reactive groups: 0

Topological Properties
Globularity: 0.105003	Sterimol/B1: 2.9502	Sterimol/B2: 4.33492	Sterimol/B3: 4.61445
Sterimol/B4: 6.35732	Sterimol/L: 17.9794

Surface and Volume Properties
Accessible surface: 647.225	Positive charged surface: 324.817	Negative charged surface: 322.408	Volume: 347
Hydrophobic surface: 507.235	Hydrophilic surface: 139.99

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.