MMsINC Database Search


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MMsINC code: MMs00583627

Type: Neutral
Formula: C₁₂H₁₀ClNOS

SMILES:

Clc1ccc(NC(=O)Cc2sccc2)cc1

InChI:

InChI=1/C12H10ClNOS/c13-9-3-5-10(6-4-9)14-12(15)8-11-2-1-7-16-11/h1-7H,8H2,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.7715 kcal/mol

Physical Properties
Molecular Weight: 251.737 g/mol	logS: -3.9573	SlogP: 3.58267	Reactive groups: 0

Topological Properties
Globularity: 0.0598239	Sterimol/B1: 2.37868	Sterimol/B2: 3.53849	Sterimol/B3: 4.27634
Sterimol/B4: 4.57849	Sterimol/L: 14.9132

Surface and Volume Properties
Accessible surface: 460.252	Positive charged surface: 208.197	Negative charged surface: 252.055	Volume: 223.25
Hydrophobic surface: 421.901	Hydrophilic surface: 38.351

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.