MMsINC Database Search


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MMsINC code: MMs01377493

Type: Neutral
Formula: C₁₅H₁₁ClN₂O₂S

SMILES:

Clc1cnccc1NS(=O)(=O)c1cc2c(cc1)cccc2

InChI:

InChI=1/C15H11ClN2O2S/c16-14-10-17-8-7-15(14)18-21(19,20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.0652 kcal/mol

Physical Properties
Molecular Weight: 318.784 g/mol	logS: -4.40075	SlogP: 3.689	Reactive groups: 0

Topological Properties
Globularity: 0.173932	Sterimol/B1: 3.10748	Sterimol/B2: 4.41261	Sterimol/B3: 4.76698
Sterimol/B4: 5.95601	Sterimol/L: 12.8408

Surface and Volume Properties
Accessible surface: 499.611	Positive charged surface: 237.308	Negative charged surface: 251.231	Volume: 268
Hydrophobic surface: 410.552	Hydrophilic surface: 89.059

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.