MMsINC Database Search


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MMsINC code: MMs02217202

Type: Neutral
Formula: C₁₂H₁₀OS

SMILES:

S1(=O)Cc2c(C1)cc1c(c2)cccc1

InChI:

InChI=1/C12H10OS/c13-14-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-6H,7-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.151 kcal/mol

Physical Properties
Molecular Weight: 202.277 g/mol	logS: -3.61937	SlogP: 3.1349	Reactive groups: 0

Topological Properties
Globularity: 0.018917	Sterimol/B1: 2.44355	Sterimol/B2: 2.7236	Sterimol/B3: 3.26553
Sterimol/B4: 4.65998	Sterimol/L: 12.6424

Surface and Volume Properties
Accessible surface: 391.322	Positive charged surface: 226.682	Negative charged surface: 153.569	Volume: 188.125
Hydrophobic surface: 353.728	Hydrophilic surface: 37.594

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.