MMsINC Database Search


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

MMsINC code: MMs01502963

Type: Neutral
Formula: C₁₇H₁₂O₄

SMILES:

o1c2c(cc1C(Oc1ccc(cc1)C(=O)C)=O)cccc2

InChI:

InChI=1/C17H12O4/c1-11(18)12-6-8-14(9-7-12)20-17(19)16-10-13-4-2-3-5-15(13)21-16/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.7876 kcal/mol

Physical Properties
Molecular Weight: 280.279 g/mol	logS: -5.40946	SlogP: 3.8546	Reactive groups: 0

Topological Properties
Globularity: 0.0335438	Sterimol/B1: 2.53071	Sterimol/B2: 3.42078	Sterimol/B3: 3.78517
Sterimol/B4: 3.8931	Sterimol/L: 18.2648

Surface and Volume Properties
Accessible surface: 522.434	Positive charged surface: 276.408	Negative charged surface: 240.36	Volume: 260.5
Hydrophobic surface: 433.541	Hydrophilic surface: 88.893

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.