MMsINC Database Search


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

MMsINC code: MMs02176291

Type: Neutral
Formula: C₁₂H₁₀O₂

SMILES:

OC(=O)c1ccc2c(cccc2)c1C

InChI:

InChI=1/C12H10O2/c1-8-10-5-3-2-4-9(10)6-7-11(8)12(13)14/h2-7H,1H3,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.5576 kcal/mol

Physical Properties
Molecular Weight: 186.21 g/mol	logS: -3.70608	SlogP: 2.84642	Reactive groups: 0

Topological Properties
Globularity: 0.0107902	Sterimol/B1: 2.11413	Sterimol/B2: 2.11758	Sterimol/B3: 2.50608
Sterimol/B4: 6.64441	Sterimol/L: 12.1213

Surface and Volume Properties
Accessible surface: 367.254	Positive charged surface: 199.192	Negative charged surface: 158.599	Volume: 182.25
Hydrophobic surface: 281.924	Hydrophilic surface: 85.33

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

MMs02176292
MDPI-ZINC02173514