Drug ID:   | NPD1156 |
Drug Name:   | |
Molecular Formula:   | C13H32N4 |
Canonical SMILES:   | CCNCCCNCCCNCCCNCC |
Standard InCHI:   | InChI=1S/C13H32N4/c1-3-14-8-5-10-16-12-7-13-17-11-6-9-15-4-2/h14-17H,3-13H2,1-2H3 |
Standard InCHIKey:   | UMJJGDUYVQCBMC-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.
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 | 0.9 | NPC95589 |
High Similarity | 0.8621 | NPC27675 |
Intermediate Similarity | 0.8333 | NPC270175 |
Intermediate Similarity | 0.8333 | NPC152949 |
Intermediate Similarity | 0.8333 | NPC193536 |
Intermediate Similarity | 0.8235 | NPC74599 |
Intermediate Similarity | 0.8125 | NPC320889 |
Intermediate Similarity | 0.7297 | NPC326791 |
Intermediate Similarity | 0.7241 | NPC119368 |
Intermediate Similarity | 0.7179 | NPC319114 |
Intermediate Similarity | 0.7105 | NPC240230 |
Remote Similarity | 0.6923 | NPC321202 |
Remote Similarity | 0.6842 | NPC473035 |
Remote Similarity | 0.6667 | NPC232311 |
Remote Similarity | 0.6341 | NPC15231 |
Remote Similarity | 0.6286 | NPC21157 |
Remote Similarity | 0.625 | NPC167301 |
Remote Similarity | 0.6207 | NPC309715 |
Remote Similarity | 0.6053 | NPC163099 |
Remote Similarity | 0.6 | NPC28081 |
Remote Similarity | 0.6 | NPC270319 |
Remote Similarity | 0.6 | NPC27869 |
Remote Similarity | 0.6 | NPC309330 |
Remote Similarity | 0.6 | NPC258096 |
Remote Similarity | 0.5897 | NPC203203 |
Remote Similarity | 0.5714 | NPC313882 |
Remote Similarity | 0.5625 | NPC306277 |
Remote Similarity | 0.5625 | NPC318947 |
Molecular Weight   | 244.26 |
ALogP   | -1.7706 |
MLogP   | 2.45 |
XLogP   | 0.586 |
HDA   | 4 |
HBD   | 4 |
Rotatable Bonds   | 16 |
TPSA   | 48.12 |
RO5 Violation   | 1 |