MMsINC Database Search


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

MMsINC code: MMs02183460

Type: Neutral
Formula: C₂₀H₁₄O

SMILES:

Oc1ccc2c(cccc2)c1-c1c2c(ccc1)cccc2

InChI:

InChI=1/C20H14O/c21-19-13-12-15-7-2-4-10-17(15)20(19)18-11-5-8-14-6-1-3-9-16(14)18/h1-13,21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.175 kcal/mol

Physical Properties
Molecular Weight: 270.331 g/mol	logS: -7.20507	SlogP: 5.3656	Reactive groups: 0

Topological Properties
Globularity: 0.285883	Sterimol/B1: 2.9869	Sterimol/B2: 3.8089	Sterimol/B3: 5.94011
Sterimol/B4: 6.79396	Sterimol/L: 12.8898

Surface and Volume Properties
Accessible surface: 489.476	Positive charged surface: 259.381	Negative charged surface: 217.167	Volume: 273.875
Hydrophobic surface: 449.664	Hydrophilic surface: 39.812

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.