MMsINC Database Search


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

MMsINC code: MMs02216594

Type: Neutral
Formula: C₁₄H₁₀O₂

SMILES:

Oc1c2c3c(cccc3O)ccc2ccc1

InChI:

InChI=1/C14H10O2/c15-11-5-1-3-9-7-8-10-4-2-6-12(16)14(10)13(9)11/h1-8,15-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.3627 kcal/mol

Physical Properties
Molecular Weight: 210.232 g/mol	logS: -4.41674	SlogP: 3.4042	Reactive groups: 0

Topological Properties
Globularity: 0.0536173	Sterimol/B1: 2.9385	Sterimol/B2: 3.16123	Sterimol/B3: 4.16446
Sterimol/B4: 4.778	Sterimol/L: 12.1196

Surface and Volume Properties
Accessible surface: 399.257	Positive charged surface: 219.401	Negative charged surface: 161.672	Volume: 200.75
Hydrophobic surface: 324.607	Hydrophilic surface: 74.65

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.