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MMsINC code: MMs00491943

Type: Tautomer
Formula: C₁₅H₁₂N₂O₃

SMILES:

O=C(Nc1ccccc1)\C=C/c1ccccc1[N+](=O)[O-]

InChI:

InChI=1/C15H12N2O3/c18-15(16-13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)17(19)20/h1-11H,(H,16,18)/b11-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.205 kcal/mol

Physical Properties
Molecular Weight: 268.272 g/mol	logS: -4.65092	SlogP: 3.2467	Reactive groups: 0

Topological Properties
Globularity: 0.107754	Sterimol/B1: 3.27788	Sterimol/B2: 3.4596	Sterimol/B3: 4.37255
Sterimol/B4: 6.04946	Sterimol/L: 14.0762

Surface and Volume Properties
Accessible surface: 484.809	Positive charged surface: 245.208	Negative charged surface: 239.602	Volume: 248.25
Hydrophobic surface: 388.816	Hydrophilic surface: 95.993

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Parent related molecule:

MMs00491942
CHEMBLOCK-ZINC00060248