MMsINC Database Search


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

MMsINC code: MMs03547134

Type: Neutral
Formula: C₂₀H₁₂O₂

SMILES:

Oc1c2c3c4c(c1)c(O)ccc4ccc3c1c(c2)cccc1

InChI:

InChI=1/C20H12O2/c21-17-8-6-11-5-7-14-13-4-2-1-3-12(13)9-15-18(22)10-16(17)19(11)20(14)15/h1-10,21-22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.0173 kcal/mol

Physical Properties
Molecular Weight: 284.314 g/mol	logS: -7.624	SlogP: 5.1484	Reactive groups: 0

Topological Properties
Globularity: 0.00358818	Sterimol/B1: 2.13823	Sterimol/B2: 2.26358	Sterimol/B3: 5.27341
Sterimol/B4: 5.49276	Sterimol/L: 14.1235

Surface and Volume Properties
Accessible surface: 481.286	Positive charged surface: 232.335	Negative charged surface: 204.666	Volume: 269.25
Hydrophobic surface: 390.768	Hydrophilic surface: 90.518

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: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.