Drug ID:   | NPD8784 |
Drug Name:   | |
Molecular Formula:   | C5H10N2O2 |
Canonical SMILES:   | C[C@@H]1CN(C(=O)[C@@H]1N)O |
Standard InCHI:   | InChI=1S/C5H10N2O2/c1-3-2-7(9)5(8)4(3)6/h3-4,9H,2,6H2,1H3/t3-,4-/m1/s1 |
Standard InCHIKey:   | SKYSFPFYQBZGDC-QWWZWVQMSA-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.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
Similarity Level | Similarity Score | Natural Product ID |
---|---|---|
Remote Similarity | 0.6575 | NPC327272 |
Remote Similarity | 0.6338 | NPC322274 |
Remote Similarity | 0.6296 | NPC234196 |
Remote Similarity | 0.623 | NPC204607 |
Remote Similarity | 0.6143 | NPC287693 |
Remote Similarity | 0.5972 | NPC250953 |
Remote Similarity | 0.5946 | NPC76297 |
Remote Similarity | 0.5946 | NPC214532 |
Remote Similarity | 0.5946 | NPC196007 |
Remote Similarity | 0.5806 | NPC17244 |
Remote Similarity | 0.5789 | NPC320221 |
Remote Similarity | 0.5789 | NPC266888 |
Remote Similarity | 0.5789 | NPC209156 |
Remote Similarity | 0.5789 | NPC256312 |
Remote Similarity | 0.5789 | NPC161774 |
Remote Similarity | 0.5775 | NPC473528 |
Remote Similarity | 0.5775 | NPC475397 |
Remote Similarity | 0.5775 | NPC207247 |
Remote Similarity | 0.5775 | NPC474907 |
Molecular Weight   | 130.07 |
ALogP   | -1.8571 |
MLogP   | 1.57 |
XLogP   | -0.532 |
HDA   | 2 |
HBD   | 2 |
Rotatable Bonds   | 3 |
TPSA   | 66.56 |
RO5 Violation   | 0 |