MMsINC Database Search


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

MMsINC code: MMs02240395

Type: Neutral
Formula: C₁₆H₁₀O₄

SMILES:

O=C1c2c(cc3c(c2)C(=O)C=CC3=O)C(=O)C(C)=C1C

InChI:

InChI=1/C16H10O4/c1-7-8(2)16(20)12-6-10-9(5-11(12)15(7)19)13(17)3-4-14(10)18/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.3732 kcal/mol

Physical Properties
Molecular Weight: 266.252 g/mol	logS: -3.94774	SlogP: 2.3372	Reactive groups: 1

Topological Properties
Globularity: 0.00913664	Sterimol/B1: 2.37587	Sterimol/B2: 2.51159	Sterimol/B3: 2.97464
Sterimol/B4: 5.801	Sterimol/L: 13.4977

Surface and Volume Properties
Accessible surface: 451.566	Positive charged surface: 225.038	Negative charged surface: 226.528	Volume: 238.5
Hydrophobic surface: 295.774	Hydrophilic surface: 155.792

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.