Drug ID:   | NPD7379 |
Drug Name:   | |
Molecular Formula:   | C2H7N5 |
Canonical SMILES:   | NC(=N)NC(=N)N |
Standard InCHI:   | InChI=1S/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7) |
Standard InCHIKey:   | XNCOSPRUTUOJCJ-UHFFFAOYSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
Max Developmental Stage Source:   | TTD |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Molecular Weight   | 101.07 |
ALogP   | -0.4277 |
MLogP   | 1.13 |
XLogP   | -0.468 |
HDA   | 5 |
HBD   | 5 |
Rotatable Bonds   | 4 |
TPSA   | 111.77 |
RO5 Violation   | 0 |