MMsINC Database Search


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

MMsINC code: MMs02175682

Type: Neutral
Formula: C₁₃H₁₂O₂

SMILES:

Oc1ccccc1C(O)c1ccccc1

InChI:

InChI=1/C13H12O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,13-15H/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.7675 kcal/mol

Physical Properties
Molecular Weight: 200.237 g/mol	logS: -2.56185	SlogP: 2.5694	Reactive groups: 0

Topological Properties
Globularity: 0.177367	Sterimol/B1: 2.11255	Sterimol/B2: 3.64904	Sterimol/B3: 4.10273
Sterimol/B4: 4.95742	Sterimol/L: 11.7097

Surface and Volume Properties
Accessible surface: 398.068	Positive charged surface: 209.773	Negative charged surface: 188.294	Volume: 201.25
Hydrophobic surface: 330.201	Hydrophilic surface: 67.867

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