MMsINC Database Search


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

MMsINC code: MMs02277297

Type: Neutral
Formula: C₁₈H₁₄O₂

SMILES:

OC1c2c(-c3c(cccc3)C1O)cc1c(c2)cccc1

InChI:

InChI=1/C18H14O2/c19-17-14-8-4-3-7-13(14)15-9-11-5-1-2-6-12(11)10-16(15)18(17)20/h1-10,17-20H/t17-,18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.4332 kcal/mol

Physical Properties
Molecular Weight: 262.308 g/mol	logS: -5.38002	SlogP: 3.7782	Reactive groups: 0

Topological Properties
Globularity: 0.0590068	Sterimol/B1: 3.51983	Sterimol/B2: 3.5461	Sterimol/B3: 3.82894
Sterimol/B4: 5.89735	Sterimol/L: 14.1187

Surface and Volume Properties
Accessible surface: 472.822	Positive charged surface: 255.709	Negative charged surface: 198.175	Volume: 255.125
Hydrophobic surface: 383.752	Hydrophilic surface: 89.07

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.