MMsINC Database Search


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MMsINC code: MMs00995350

Type: Neutral
Formula: C₁₉H₁₅ClN₂O₄S

SMILES:

Clc1ccc(S(=O)(=O)N(C(=O)c2cccnc2)c2ccc(OC)cc2)cc1

InChI:

InChI=1/C19H15ClN2O4S/c1-26-17-8-6-16(7-9-17)22(19(23)14-3-2-12-21-13-14)27(24,25)18-10-4-15(20)5-11-18/h2-13H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=156.6 kcal/mol

Physical Properties
Molecular Weight: 402.858 g/mol	logS: -4.82236	SlogP: 3.7793	Reactive groups: 0

Topological Properties
Globularity: 0.147306	Sterimol/B1: 2.14637	Sterimol/B2: 3.96994	Sterimol/B3: 4.90445
Sterimol/B4: 10.7972	Sterimol/L: 13.7843

Surface and Volume Properties
Accessible surface: 595.05	Positive charged surface: 311.15	Negative charged surface: 283.9	Volume: 339.875
Hydrophobic surface: 498.075	Hydrophilic surface: 96.975

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.