MMsINC Database Search


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MMsINC code: MMs02465379

Type: Neutral
Formula: C₁₂H₁₀ClNOS

SMILES:

Clc1cc(S(=O)Nc2ccccc2)ccc1

InChI:

InChI=1/C12H10ClNOS/c13-10-5-4-8-12(9-10)16(15)14-11-6-2-1-3-7-11/h1-9,14H/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.9349 kcal/mol

Physical Properties
Molecular Weight: 251.737 g/mol	logS: -3.93049	SlogP: 3.4747	Reactive groups: 0

Topological Properties
Globularity: 0.0510258	Sterimol/B1: 3.30417	Sterimol/B2: 3.68448	Sterimol/B3: 3.8278
Sterimol/B4: 4.31418	Sterimol/L: 14.383

Surface and Volume Properties
Accessible surface: 458.039	Positive charged surface: 210.381	Negative charged surface: 247.657	Volume: 222.25
Hydrophobic surface: 403.218	Hydrophilic surface: 54.821

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