MMsINC Database Search


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MMsINC code: MMs02375998

Type: Neutral
Formula: C₈H₁₀ClNS

SMILES:

Clc1cccc(CSC)c1N

InChI:

InChI=1/C8H10ClNS/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4H,5,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.8828 kcal/mol

Physical Properties
Molecular Weight: 187.694 g/mol	logS: -2.80549	SlogP: 3.0516	Reactive groups: 0

Topological Properties
Globularity: 0.050157	Sterimol/B1: 2.7329	Sterimol/B2: 3.10526	Sterimol/B3: 3.88483
Sterimol/B4: 4.45144	Sterimol/L: 11.5289

Surface and Volume Properties
Accessible surface: 374.154	Positive charged surface: 188.486	Negative charged surface: 185.668	Volume: 172.5
Hydrophobic surface: 293.945	Hydrophilic surface: 80.209

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.