Drug ID:   | NPD8576 |
Drug Name:   | Succinimide |
Molecular Formula:   | C4H5NO2 |
Canonical SMILES:   | OC1=NC(=O)CC1 |
Standard InCHI:   | InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7) |
Standard InCHIKey:   | KZNICNPSHKQLFF-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL |
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 |
---|---|---|
High Similarity | 1.0 | NPC33721 |
Intermediate Similarity | 0.8 | NPC21142 |
Intermediate Similarity | 0.7368 | NPC145895 |
Remote Similarity | 0.66 | NPC29950 |
Remote Similarity | 0.66 | NPC19576 |
Remote Similarity | 0.6486 | NPC290188 |
Remote Similarity | 0.6078 | NPC327239 |
Remote Similarity | 0.5962 | NPC471131 |
Remote Similarity | 0.5833 | NPC43264 |
Remote Similarity | 0.5789 | NPC292299 |
Remote Similarity | 0.5789 | NPC34838 |
Remote Similarity | 0.569 | NPC263207 |
Molecular Weight   | 99.03 |
ALogP   | -0.7817 |
MLogP   | 1.57 |
XLogP   | -0.312 |
HDA   | 3 |
HBD   | 1 |
Rotatable Bonds   | 1 |
TPSA   | 49.66 |
RO5 Violation   | 0 |