MMsINC Database Search


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MMsINC code: MMs00139142

Type: Neutral
Formula: C₁₀H₁₂ClNO₂S₂

SMILES:

Clc1ccccc1C1SCCN1S(=O)(=O)C

InChI:

InChI=1/C10H12ClNO2S2/c1-16(13,14)12-6-7-15-10(12)8-4-2-3-5-9(8)11/h2-5,10H,6-7H2,1H3/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.1192 kcal/mol

Physical Properties
Molecular Weight: 277.796 g/mol	logS: -2.99822	SlogP: 2.4425	Reactive groups: 0

Topological Properties
Globularity: 0.246479	Sterimol/B1: 2.46273	Sterimol/B2: 3.97879	Sterimol/B3: 4.97049
Sterimol/B4: 6.8266	Sterimol/L: 11.395

Surface and Volume Properties
Accessible surface: 437.872	Positive charged surface: 211.376	Negative charged surface: 226.497	Volume: 229.375
Hydrophobic surface: 349.057	Hydrophilic surface: 88.815

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.