MMsINC Database Search


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

MMsINC code: MMs02343925

Type: Neutral
Formula: C₁₅H₁₀O₃

SMILES:

Oc1cc2c(cc1C(O)=O)cc1c(c2)cccc1

InChI:

InChI=1/C15H10O3/c16-14-8-12-6-10-4-2-1-3-9(10)5-11(12)7-13(14)15(17)18/h1-8,16H,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.8353 kcal/mol

Physical Properties
Molecular Weight: 238.242 g/mol	logS: -4.74809	SlogP: 3.3968	Reactive groups: 0

Topological Properties
Globularity: 0.00220182	Sterimol/B1: 2.0971	Sterimol/B2: 2.23759	Sterimol/B3: 3.14083
Sterimol/B4: 5.33754	Sterimol/L: 13.8745

Surface and Volume Properties
Accessible surface: 444.142	Positive charged surface: 226.369	Negative charged surface: 195.63	Volume: 222.5
Hydrophobic surface: 310.998	Hydrophilic surface: 133.144

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs02343926
NCID-ZINC01718623