MMsINC Database Search


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

MMsINC code: MMs00006837

Type: Neutral
Formula: C₇H₈O₂

SMILES:

Oc1ccc(O)cc1C

InChI:

InChI=1/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.8424 kcal/mol

Physical Properties
Molecular Weight: 124.139 g/mol	logS: -0.82145	SlogP: 1.40622	Reactive groups: 0

Topological Properties
Globularity: 0.0400707	Sterimol/B1: 2.169	Sterimol/B2: 2.49444	Sterimol/B3: 2.62835
Sterimol/B4: 5.24779	Sterimol/L: 8.80826

Surface and Volume Properties
Accessible surface: 300.471	Positive charged surface: 185.642	Negative charged surface: 114.829	Volume: 121.875
Hydrophobic surface: 205.201	Hydrophilic surface: 95.27

Pharmacophoric Properties
Hydrogen bond donors: 2	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.