MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02222171

Type: Neutral
Formula: C₁₀H₁₀O₃S

SMILES:

S=C(OC)c1ccc(cc1)C(OC)=O

InChI:

InChI=1/C10H10O3S/c1-12-9(11)7-3-5-8(6-4-7)10(14)13-2/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.8019 kcal/mol

Physical Properties
Molecular Weight: 210.253 g/mol	logS: -3.40162	SlogP: 1.7951	Reactive groups: 0

Topological Properties
Globularity: 0.0160021	Sterimol/B1: 2.43789	Sterimol/B2: 2.64102	Sterimol/B3: 3.31929
Sterimol/B4: 4.63804	Sterimol/L: 13.9117

Surface and Volume Properties
Accessible surface: 423.205	Positive charged surface: 270.787	Negative charged surface: 152.417	Volume: 194.5
Hydrophobic surface: 313.518	Hydrophilic surface: 109.687

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.