MMsINC Database Search


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MMsINC code: MMs02861976

Type: Neutral
Formula: C₁₀H₉N₃O₂

SMILES:

O=C(C(=O)NN)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C10H9N3O2/c11-13-10(15)9(14)7-5-12-8-4-2-1-3-6(7)8/h1-5,12H,11H2,(H,13,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.9994 kcal/mol

Physical Properties
Molecular Weight: 203.201 g/mol	logS: -2.23818	SlogP: 0.3405	Reactive groups: 0

Topological Properties
Globularity: 0.00212849	Sterimol/B1: 2.10114	Sterimol/B2: 2.17846	Sterimol/B3: 2.46284
Sterimol/B4: 5.85659	Sterimol/L: 13.6529

Surface and Volume Properties
Accessible surface: 391.645	Positive charged surface: 215.373	Negative charged surface: 170.429	Volume: 183.625
Hydrophobic surface: 185.949	Hydrophilic surface: 205.696

Pharmacophoric Properties
Hydrogen bond donors: 3	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.