MMsINC Database Search


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MMsINC code: MMs03003737

Type: Neutral
Formula: C₁₀H₁₀S

SMILES:

s1c2c(cc1CC)cccc2

InChI:

InChI=1/C10H10S/c1-2-9-7-8-5-3-4-6-10(8)11-9/h3-7H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.2643 kcal/mol

Physical Properties
Molecular Weight: 162.256 g/mol	logS: -3.40047	SlogP: 3.46367	Reactive groups: 0

Topological Properties
Globularity: 0.0500602	Sterimol/B1: 2.06445	Sterimol/B2: 3.43177	Sterimol/B3: 3.89897
Sterimol/B4: 3.95915	Sterimol/L: 11.9948

Surface and Volume Properties
Accessible surface: 356.868	Positive charged surface: 200.776	Negative charged surface: 150.908	Volume: 166.625
Hydrophobic surface: 333.544	Hydrophilic surface: 23.324

Pharmacophoric Properties
Hydrogen bond donors: 0	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.