MMsINC Database Search


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MMsINC code: MMs03777970

Type: Neutral
Formula: C₁₃H₁₁N₃O₃

SMILES:

O=C(N=Nc1ccccc1)c1cc(N(O)O)ccc1

InChI:

InChI=1/C13H11N3O3/c17-13(15-14-11-6-2-1-3-7-11)10-5-4-8-12(9-10)16(18)19/h1-9,18-19H/b15-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.5872 kcal/mol

Physical Properties
Molecular Weight: 257.249 g/mol	logS: -2.93669	SlogP: 3.1955	Reactive groups: 0

Topological Properties
Globularity: 3.31459e-07	Sterimol/B1: 2.09855	Sterimol/B2: 2.10173	Sterimol/B3: 4.08149
Sterimol/B4: 4.52077	Sterimol/L: 16.6666

Surface and Volume Properties
Accessible surface: 487.955	Positive charged surface: 237.045	Negative charged surface: 250.91	Volume: 234.375
Hydrophobic surface: 345.984	Hydrophilic surface: 141.971

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.