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MMsINC code: MMs00411808

Type: Neutral
Formula: C₁₅H₁₄N₄O₅

SMILES:

O(C)c1cc([N+](=O)[O-])c(NN=Nc2ccccc2C(OC)=O)cc1

InChI:

InChI=1/C15H14N4O5/c1-23-10-7-8-13(14(9-10)19(21)22)17-18-16-12-6-4-3-5-11(12)15(20)24-2/h3-9H,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.8328 kcal/mol

Physical Properties
Molecular Weight: 330.3 g/mol	logS: -4.19731	SlogP: 3.5008	Reactive groups: 0

Topological Properties
Globularity: 0.00592126	Sterimol/B1: 2.42387	Sterimol/B2: 2.63415	Sterimol/B3: 4.45706
Sterimol/B4: 7.22906	Sterimol/L: 17.7371

Surface and Volume Properties
Accessible surface: 576.837	Positive charged surface: 343.913	Negative charged surface: 232.923	Volume: 289.625
Hydrophobic surface: 445.227	Hydrophilic surface: 131.61

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

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Ions/Tautomers related molecules: no related molecules available.