Drug ID:   | NPD605 |
Drug Name:   | |
Molecular Formula:   | C11H18N2O2 |
Canonical SMILES:   | CCN1C(=O)CC2(C1=O)CCN(CC2)C |
Standard InCHI:   | InChI=1S/C11H18N2O2/c1-3-13-9(14)8-11(10(13)15)4-6-12(2)7-5-11/h3-8H2,1-2H3 |
Standard InCHIKey:   | UIHKDOBBVHGTAQ-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 |
---|---|---|
Remote Similarity | 0.6604 | NPC234196 |
Remote Similarity | 0.6463 | NPC237535 |
Remote Similarity | 0.6 | NPC209156 |
Remote Similarity | 0.5811 | NPC180401 |
Remote Similarity | 0.5811 | NPC290231 |
Remote Similarity | 0.5811 | NPC48448 |
Remote Similarity | 0.5811 | NPC206241 |
Remote Similarity | 0.5811 | NPC68043 |
Remote Similarity | 0.5811 | NPC271803 |
Remote Similarity | 0.5811 | NPC266383 |
Remote Similarity | 0.5789 | NPC266888 |
Remote Similarity | 0.5789 | NPC256312 |
Remote Similarity | 0.5789 | NPC161774 |
Remote Similarity | 0.5733 | NPC214532 |
Remote Similarity | 0.5733 | NPC76297 |
Remote Similarity | 0.5733 | NPC196007 |
Remote Similarity | 0.5714 | NPC327272 |
Remote Similarity | 0.5714 | NPC204607 |
Remote Similarity | 0.569 | NPC141914 |
Remote Similarity | 0.5676 | NPC96272 |
Remote Similarity | 0.5658 | NPC29326 |
Remote Similarity | 0.5641 | NPC80447 |
Molecular Weight   | 210.14 |
ALogP   | -0.0907 |
MLogP   | 2.23 |
XLogP   | -0.398 |
HDA   | 4 |
HBD   | 0 |
Rotatable Bonds   | 3 |
TPSA   | 40.62 |
RO5 Violation   | 0 |