MMsINC Database Search


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

MMsINC code: MMs02310161

Type: Neutral
Formula: C₁₄H₁₀O₂S

SMILES:

S1(=O)(=O)c2c(C=Cc3c1cccc3)cccc2

InChI:

InChI=1/C14H10O2S/c15-17(16)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.5283 kcal/mol

Physical Properties
Molecular Weight: 242.298 g/mol	logS: -3.95121	SlogP: 3.0032	Reactive groups: 0

Topological Properties
Globularity: 0.140413	Sterimol/B1: 2.09705	Sterimol/B2: 3.88667	Sterimol/B3: 4.61338
Sterimol/B4: 5.39148	Sterimol/L: 11.9157

Surface and Volume Properties
Accessible surface: 415.533	Positive charged surface: 199.652	Negative charged surface: 215.881	Volume: 216.25
Hydrophobic surface: 360.139	Hydrophilic surface: 55.394

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.