MMsINC Database Search


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MMsINC code: MMs01227931

Type: Neutral
Formula: C₁₃H₁₀ClNO₃S

SMILES:

Clc1cc(ccc1)C(=O)NS(=O)(=O)c1ccccc1

InChI:

InChI=1/C13H10ClNO3S/c14-11-6-4-5-10(9-11)13(16)15-19(17,18)12-7-2-1-3-8-12/h1-9H,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.7885 kcal/mol

Physical Properties
Molecular Weight: 295.746 g/mol	logS: -4.31225	SlogP: 2.4587	Reactive groups: 0

Topological Properties
Globularity: 0.118937	Sterimol/B1: 2.64674	Sterimol/B2: 3.10655	Sterimol/B3: 5.58426
Sterimol/B4: 5.68999	Sterimol/L: 13.467

Surface and Volume Properties
Accessible surface: 484.839	Positive charged surface: 190.711	Negative charged surface: 294.127	Volume: 245.125
Hydrophobic surface: 390.111	Hydrophilic surface: 94.728

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

MMs01227932
ENAMINE-ZINC00267737