MMsINC Database Search


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MMsINC code: MMs00162947

Type: Neutral
Formula: C₁₉H₁₆ClN₃O₃S

SMILES:

Clc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.624 kcal/mol

Physical Properties
Molecular Weight: 401.874 g/mol	logS: -4.59488	SlogP: 3.569	Reactive groups: 0

Topological Properties
Globularity: 0.11573	Sterimol/B1: 2.54191	Sterimol/B2: 3.62739	Sterimol/B3: 4.50999
Sterimol/B4: 9.92939	Sterimol/L: 17.7379

Surface and Volume Properties
Accessible surface: 631.963	Positive charged surface: 337.252	Negative charged surface: 294.711	Volume: 349.625
Hydrophobic surface: 536.625	Hydrophilic surface: 95.338

Pharmacophoric Properties
Hydrogen bond donors: 1	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.