MMsINC Database Search


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

MMsINC code: MMs03100065

Type: Neutral
Formula: C₁₃H₁₀O

SMILES:

o1c2c(c3c1cccc3)cccc2C

InChI:

InChI=1/C13H10O/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.7659 kcal/mol

Physical Properties
Molecular Weight: 182.222 g/mol	logS: -4.83736	SlogP: 3.89442	Reactive groups: 0

Topological Properties
Globularity: 0.00865502	Sterimol/B1: 2.11416	Sterimol/B2: 2.36668	Sterimol/B3: 2.51252
Sterimol/B4: 6.17279	Sterimol/L: 11.6738

Surface and Volume Properties
Accessible surface: 386.626	Positive charged surface: 210.947	Negative charged surface: 163.209	Volume: 187.125
Hydrophobic surface: 379.108	Hydrophilic surface: 7.518

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