MMsINC Database Search


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

MMsINC code: MMs01515243

Type: Neutral
Formula: C₁₈H₁₆N₂O₅

SMILES:

O(C)c1cc(OC)c(OC)cc1\C=N\N1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C18H16N2O5/c1-23-14-9-16(25-3)15(24-2)8-11(14)10-19-20-17(21)12-6-4-5-7-13(12)18(20)22/h4-10H,1-3H3/b19-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.564 kcal/mol

Physical Properties
Molecular Weight: 340.335 g/mol	logS: -4.09301	SlogP: 2.3425	Reactive groups: 0

Topological Properties
Globularity: 0.00667483	Sterimol/B1: 2.26548	Sterimol/B2: 2.39759	Sterimol/B3: 2.46658
Sterimol/B4: 9.25518	Sterimol/L: 17.905

Surface and Volume Properties
Accessible surface: 589.774	Positive charged surface: 425.718	Negative charged surface: 164.055	Volume: 309.5
Hydrophobic surface: 471.537	Hydrophilic surface: 118.237

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	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.