MMsINC Database Search


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MMsINC code: MMs02149906

Type: Neutral
Formula: C₁₉H₁₆ClNO₃S

SMILES:

Clc1cccc(Oc2ccccc2)c1CNS(=O)(=O)c1ccccc1

InChI:

InChI=1/C19H16ClNO3S/c20-18-12-7-13-19(24-15-8-3-1-4-9-15)17(18)14-21-25(22,23)16-10-5-2-6-11-16/h1-13,21H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.3545 kcal/mol

Physical Properties
Molecular Weight: 373.86 g/mol	logS: -5.50776	SlogP: 4.8772	Reactive groups: 0

Topological Properties
Globularity: 0.133262	Sterimol/B1: 2.21661	Sterimol/B2: 4.12849	Sterimol/B3: 4.20572
Sterimol/B4: 9.71082	Sterimol/L: 13.1356

Surface and Volume Properties
Accessible surface: 600.364	Positive charged surface: 285.929	Negative charged surface: 314.435	Volume: 331.375
Hydrophobic surface: 523.794	Hydrophilic surface: 76.57

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.