MMsINC Database Search


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

MMsINC code: MMs02701690

Type: Neutral
Formula: C₁₄H₁₀N₂O₄

SMILES:

o1c2c(nc1-c1cc([N+](=O)[O-])c(OC)cc1)cccc2

InChI:

InChI=1/C14H10N2O4/c1-19-13-7-6-9(8-11(13)16(17)18)14-15-10-4-2-3-5-12(10)20-14/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.7853 kcal/mol

Physical Properties
Molecular Weight: 270.244 g/mol	logS: -5.54116	SlogP: 3.4116	Reactive groups: 0

Topological Properties
Globularity: 0.00348854	Sterimol/B1: 2.37396	Sterimol/B2: 2.37613	Sterimol/B3: 2.9295
Sterimol/B4: 6.55592	Sterimol/L: 15.7608

Surface and Volume Properties
Accessible surface: 481.042	Positive charged surface: 264.959	Negative charged surface: 216.083	Volume: 235.625
Hydrophobic surface: 360.301	Hydrophilic surface: 120.741

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.