MMsINC Database Search


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

MMsINC code: MMs02144607

Type: Neutral
Formula: C₁₇H₁₀O₄

SMILES:

O(C(=O)c1ccccc1)c1c2c(ccc1)C(=O)C=CC2=O

InChI:

InChI=1/C17H10O4/c18-13-9-10-14(19)16-12(13)7-4-8-15(16)21-17(20)11-5-2-1-3-6-11/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.1849 kcal/mol

Physical Properties
Molecular Weight: 278.263 g/mol	logS: -4.76342	SlogP: 2.841	Reactive groups: 1

Topological Properties
Globularity: 0.0758374	Sterimol/B1: 3.53761	Sterimol/B2: 3.91592	Sterimol/B3: 4.76283
Sterimol/B4: 5.3641	Sterimol/L: 15.0034

Surface and Volume Properties
Accessible surface: 482.681	Positive charged surface: 237.516	Negative charged surface: 245.166	Volume: 253.875
Hydrophobic surface: 386.141	Hydrophilic surface: 96.54

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.