MMsINC Database Search


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MMsINC code: MMs01287706

Type: Neutral
Formula: C₁₅H₉N₅O₂

SMILES:

O=[N+]([O-])c1ccc(cc1)-c1nc-2n(n1)C=Nc1c-2cccc1

InChI:

InChI=1/C15H9N5O2/c21-20(22)11-7-5-10(6-8-11)14-17-15-12-3-1-2-4-13(12)16-9-19(15)18-14/h1-9H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.5134 kcal/mol

Physical Properties
Molecular Weight: 291.27 g/mol	logS: -6.59566	SlogP: 3.0418	Reactive groups: 0

Topological Properties
Globularity: 2.56524e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.10398	Sterimol/B3: 2.52924
Sterimol/B4: 6.92688	Sterimol/L: 16.9668

Surface and Volume Properties
Accessible surface: 497.254	Positive charged surface: 246.85	Negative charged surface: 250.404	Volume: 254.5
Hydrophobic surface: 342.867	Hydrophilic surface: 154.387

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.