MMsINC Database Search


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MMsINC code: MMs00018667

Type: Neutral
Formula: C₁₅H₁₀N₂O₃

SMILES:

Oc1cc(nc2c1cc([N+](=O)[O-])cc2)-c1ccccc1

InChI:

InChI=1/C15H10N2O3/c18-15-9-14(10-4-2-1-3-5-10)16-13-7-6-11(17(19)20)8-12(13)15/h1-9H,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.5224 kcal/mol

Physical Properties
Molecular Weight: 266.256 g/mol	logS: -4.79688	SlogP: 3.5156	Reactive groups: 0

Topological Properties
Globularity: 0.00169083	Sterimol/B1: 2.13136	Sterimol/B2: 2.19816	Sterimol/B3: 3.83178
Sterimol/B4: 5.22524	Sterimol/L: 15.6525

Surface and Volume Properties
Accessible surface: 474.719	Positive charged surface: 207.694	Negative charged surface: 255.954	Volume: 236.5
Hydrophobic surface: 325.948	Hydrophilic surface: 148.771

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.