MMsINC Database Search


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MMsINC code: MMs03025426

Type: Neutral
Formula: C₇H₁₀ClNS

SMILES:

Clc1sc(CCC)c(n1)C

InChI:

InChI=1/C7H10ClNS/c1-3-4-6-5(2)9-7(8)10-6/h3-4H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.1088 kcal/mol

Physical Properties
Molecular Weight: 175.683 g/mol	logS: -2.93431	SlogP: 3.05739	Reactive groups: 0

Topological Properties
Globularity: 0.102324	Sterimol/B1: 2.55658	Sterimol/B2: 3.09386	Sterimol/B3: 4.01554
Sterimol/B4: 4.1087	Sterimol/L: 11.731

Surface and Volume Properties
Accessible surface: 363.782	Positive charged surface: 179.533	Negative charged surface: 184.249	Volume: 161.625
Hydrophobic surface: 316.49	Hydrophilic surface: 47.292

Pharmacophoric Properties
Hydrogen bond donors: 0	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.