MMsINC Database Search


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

MMsINC code: MMs00093479

Type: Neutral
Formula: C₁₃H₁₀N₂O₃

SMILES:

O1c2cc(NC(=O)c3ccncc3)ccc2OC1

InChI:

InChI=1/C13H10N2O3/c16-13(9-3-5-14-6-4-9)15-10-1-2-11-12(7-10)18-8-17-11/h1-7H,8H2,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.5368 kcal/mol

Physical Properties
Molecular Weight: 242.234 g/mol	logS: -2.05183	SlogP: 2.0626	Reactive groups: 0

Topological Properties
Globularity: 0.0188156	Sterimol/B1: 2.26312	Sterimol/B2: 2.41452	Sterimol/B3: 3.24273
Sterimol/B4: 5.52506	Sterimol/L: 14.6918

Surface and Volume Properties
Accessible surface: 445.912	Positive charged surface: 298.782	Negative charged surface: 147.13	Volume: 217.5
Hydrophobic surface: 335.341	Hydrophilic surface: 110.571

Pharmacophoric Properties
Hydrogen bond donors: 1	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.