MMsINC Database Search


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

MMsINC code: MMs00007883

Type: Neutral
Formula: C₁₀H₁₄O₂

SMILES:

O(C)c1ccccc1CC(O)C

InChI:

InChI=1/C10H14O2/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6,8,11H,7H2,1-2H3/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.842 kcal/mol

Physical Properties
Molecular Weight: 166.22 g/mol	logS: -1.59496	SlogP: 1.61847	Reactive groups: 0

Topological Properties
Globularity: 0.10581	Sterimol/B1: 3.01116	Sterimol/B2: 3.09292	Sterimol/B3: 4.94558
Sterimol/B4: 4.9537	Sterimol/L: 10.8851

Surface and Volume Properties
Accessible surface: 379.099	Positive charged surface: 279.325	Negative charged surface: 99.7747	Volume: 177.5
Hydrophobic surface: 321.439	Hydrophilic surface: 57.66

Pharmacophoric Properties
Hydrogen bond donors: 1	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.