MMsINC Database Search


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

MMsINC code: MMs02369776

Type: Neutral
Formula: C₁₀H₁₀O

SMILES:

OCC=1c2c(CC=1)cccc2

InChI:

InChI=1/C10H10O/c11-7-9-6-5-8-3-1-2-4-10(8)9/h1-4,6,11H,5,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.0863 kcal/mol

Physical Properties
Molecular Weight: 146.189 g/mol	logS: -2.16863	SlogP: 1.61837	Reactive groups: 0

Topological Properties
Globularity: 0.0287683	Sterimol/B1: 2.378	Sterimol/B2: 2.3811	Sterimol/B3: 3.60904
Sterimol/B4: 4.53096	Sterimol/L: 11.226

Surface and Volume Properties
Accessible surface: 344.39	Positive charged surface: 227.088	Negative charged surface: 117.302	Volume: 155.75
Hydrophobic surface: 268.715	Hydrophilic surface: 75.675

Pharmacophoric Properties
Hydrogen bond donors: 1	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.