MMsINC Database Search


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MMsINC code: MMs01670713

Type: Neutral
Formula: C₁₂H₁₀ClNO₂S

SMILES:

Clc1ccccc1S(=O)(=O)Nc1ccccc1

InChI:

InChI=1/C12H10ClNO2S/c13-11-8-4-5-9-12(11)17(15,16)14-10-6-2-1-3-7-10/h1-9,14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.0875 kcal/mol

Physical Properties
Molecular Weight: 267.736 g/mol	logS: -3.78101	SlogP: 3.1408	Reactive groups: 0

Topological Properties
Globularity: 0.324378	Sterimol/B1: 2.64683	Sterimol/B2: 3.57611	Sterimol/B3: 4.57949
Sterimol/B4: 6.17636	Sterimol/L: 10.7806

Surface and Volume Properties
Accessible surface: 430.621	Positive charged surface: 194.252	Negative charged surface: 236.37	Volume: 226.625
Hydrophobic surface: 358.674	Hydrophilic surface: 71.947

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.