MMsINC Database Search


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

MMsINC code: MMs02484648

Type: Neutral
Formula: C₁₀H₁₄O₃S

SMILES:

S(=O)(Cc1ccccc1)CC(O)CO

InChI:

InChI=1/C10H14O3S/c11-6-10(12)8-14(13)7-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.4559 kcal/mol

Physical Properties
Molecular Weight: 214.285 g/mol	logS: -1.21401	SlogP: 0.5549	Reactive groups: 0

Topological Properties
Globularity: 0.0547174	Sterimol/B1: 2.58682	Sterimol/B2: 3.60841	Sterimol/B3: 3.6711
Sterimol/B4: 3.70946	Sterimol/L: 14.9774

Surface and Volume Properties
Accessible surface: 433.453	Positive charged surface: 282.186	Negative charged surface: 151.267	Volume: 203.125
Hydrophobic surface: 313.163	Hydrophilic surface: 120.29

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.