MMsINC Database Search


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

MMsINC code: MMs00007366

Type: Neutral
Formula: C₉H₁₀O₂

SMILES:

O(C(=O)c1ccc(cc1)C)C

InChI:

InChI=1/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.2545 kcal/mol

Physical Properties
Molecular Weight: 150.177 g/mol	logS: -2.24053	SlogP: 1.78162	Reactive groups: 0

Topological Properties
Globularity: 0.0173914	Sterimol/B1: 2.3765	Sterimol/B2: 2.5121	Sterimol/B3: 3.38689
Sterimol/B4: 4.14277	Sterimol/L: 11.9495

Surface and Volume Properties
Accessible surface: 357.82	Positive charged surface: 234.068	Negative charged surface: 123.752	Volume: 155.125
Hydrophobic surface: 317.273	Hydrophilic surface: 40.547

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.