MMsINC Database Search


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

MMsINC code: MMs00010012

Type: Neutral
Formula: C₂₀H₁₄O₂

SMILES:

Oc1ccc2c(cccc2)c1-c1c2c(ccc1O)cccc2

InChI:

InChI=1/C20H14O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.5438 kcal/mol

Physical Properties
Molecular Weight: 286.33 g/mol	logS: -6.84312	SlogP: 5.0712	Reactive groups: 0

Topological Properties
Globularity: 0.320102	Sterimol/B1: 2.48392	Sterimol/B2: 2.88632	Sterimol/B3: 5.76434
Sterimol/B4: 6.15154	Sterimol/L: 12.8873

Surface and Volume Properties
Accessible surface: 498.198	Positive charged surface: 264.998	Negative charged surface: 221.968	Volume: 277.75
Hydrophobic surface: 422.608	Hydrophilic surface: 75.59

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.