MMsINC Database Search


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

MMsINC code: MMs02704947

Type: Neutral
Formula: C₁₅H₁₂O₃

SMILES:

O(C(=O)c1ccc(cc1)C)c1ccccc1C=O

InChI:

InChI=1/C15H12O3/c1-11-6-8-12(9-7-11)15(17)18-14-5-3-2-4-13(14)10-16/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.1835 kcal/mol

Physical Properties
Molecular Weight: 240.258 g/mol	logS: -3.97897	SlogP: 3.02672	Reactive groups: 1

Topological Properties
Globularity: 0.0710489	Sterimol/B1: 3.36958	Sterimol/B2: 3.98667	Sterimol/B3: 4.0654
Sterimol/B4: 5.00492	Sterimol/L: 15.0927

Surface and Volume Properties
Accessible surface: 472.07	Positive charged surface: 258.122	Negative charged surface: 213.948	Volume: 232.5
Hydrophobic surface: 386.98	Hydrophilic surface: 85.09

Pharmacophoric Properties
Hydrogen bond donors: 0	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.