MMsINC Database Search


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MMsINC code: MMs02246736

Type: Neutral
Formula: C₁₀H₁₀OS

SMILES:

S1CC(=O)c2c(CC1)cccc2

InChI:

InChI=1/C10H10OS/c11-10-7-12-6-5-8-3-1-2-4-9(8)10/h1-4H,5-7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.2208 kcal/mol

Physical Properties
Molecular Weight: 178.255 g/mol	logS: -2.86554	SlogP: 2.15857	Reactive groups: 0

Topological Properties
Globularity: 0.142624	Sterimol/B1: 2.72892	Sterimol/B2: 3.20457	Sterimol/B3: 3.58928
Sterimol/B4: 4.6966	Sterimol/L: 10.3495

Surface and Volume Properties
Accessible surface: 353.229	Positive charged surface: 198.402	Negative charged surface: 154.827	Volume: 170.375
Hydrophobic surface: 275.928	Hydrophilic surface: 77.301

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.