MMsINC Database Search


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

MMsINC code: MMs00120100

Type: Neutral
Formula: C₁₅H₁₀O₃

SMILES:

O1\C(\c2c(cccc2)C1=O)=C\Oc1ccccc1

InChI:

InChI=1/C15H10O3/c16-15-13-9-5-4-8-12(13)14(18-15)10-17-11-6-2-1-3-7-11/h1-10H/b14-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.635 kcal/mol

Physical Properties
Molecular Weight: 238.242 g/mol	logS: -4.30053	SlogP: 3.2344	Reactive groups: 0

Topological Properties
Globularity: 0.000404869	Sterimol/B1: 2.1045	Sterimol/B2: 2.23482	Sterimol/B3: 4.28894
Sterimol/B4: 5.07867	Sterimol/L: 14.4326

Surface and Volume Properties
Accessible surface: 449.645	Positive charged surface: 218.566	Negative charged surface: 231.079	Volume: 225.625
Hydrophobic surface: 377.933	Hydrophilic surface: 71.712

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.