MMsINC Database Search


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MMsINC code: MMs02609989

Type: Neutral
Formula: C₁₃H₁₂N₂O₅

SMILES:

O(c1ccccc1C(O)=O)c1nc(OC)nc(OC)c1

InChI:

InChI=1/C13H12N2O5/c1-18-10-7-11(15-13(14-10)19-2)20-9-6-4-3-5-8(9)12(16)17/h3-7H,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.3945 kcal/mol

Physical Properties
Molecular Weight: 276.248 g/mol	logS: -3.36487	SlogP: 1.9843	Reactive groups: 0

Topological Properties
Globularity: 0.18565	Sterimol/B1: 3.24011	Sterimol/B2: 4.01713	Sterimol/B3: 5.3427
Sterimol/B4: 6.36453	Sterimol/L: 14.0296

Surface and Volume Properties
Accessible surface: 491.361	Positive charged surface: 345.505	Negative charged surface: 145.856	Volume: 244.375
Hydrophobic surface: 356.943	Hydrophilic surface: 134.418

Pharmacophoric Properties
Hydrogen bond donors: 2	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

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Ions/Tautomers related molecules

MMs02609990
PEAKDALE-ZINC01496381