Drug ID:   | NPD1439 |
Drug Name:   | |
Molecular Formula:   | C14H23N3O2 |
Canonical SMILES:   | OC(=NCC12CCCN2CCC1)CN1CCCC1=O |
Standard InCHI:   | InChI=1S/C14H23N3O2/c18-12(10-16-7-1-4-13(16)19)15-11-14-5-2-8-17(14)9-3-6-14/h1-11H2,(H,15,18) |
Standard InCHIKey:   | AQDOLMHGTFUQLZ-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 |
---|---|---|
Intermediate Similarity | 0.7024 | NPC477539 |
Remote Similarity | 0.6795 | NPC256312 |
Remote Similarity | 0.6795 | NPC161774 |
Remote Similarity | 0.6795 | NPC266888 |
Remote Similarity | 0.6795 | NPC209156 |
Remote Similarity | 0.6753 | NPC214532 |
Remote Similarity | 0.6753 | NPC196007 |
Remote Similarity | 0.6753 | NPC76297 |
Remote Similarity | 0.6629 | NPC477538 |
Remote Similarity | 0.6386 | NPC312315 |
Remote Similarity | 0.6316 | NPC128005 |
Remote Similarity | 0.6316 | NPC84182 |
Remote Similarity | 0.631 | NPC476137 |
Remote Similarity | 0.631 | NPC476156 |
Remote Similarity | 0.631 | NPC476243 |
Remote Similarity | 0.631 | NPC476117 |
Remote Similarity | 0.6235 | NPC476302 |
Remote Similarity | 0.6235 | NPC470783 |
Remote Similarity | 0.619 | NPC31756 |
Remote Similarity | 0.6145 | NPC59867 |
Remote Similarity | 0.6133 | NPC243964 |
Remote Similarity | 0.6023 | NPC472351 |
Remote Similarity | 0.5976 | NPC320221 |
Remote Similarity | 0.5941 | NPC241394 |
Remote Similarity | 0.5938 | NPC134504 |
Remote Similarity | 0.5938 | NPC47076 |
Remote Similarity | 0.5926 | NPC470781 |
Remote Similarity | 0.5904 | NPC327272 |
Remote Similarity | 0.587 | NPC237535 |
Remote Similarity | 0.5862 | NPC23984 |
Remote Similarity | 0.5862 | NPC475542 |
Remote Similarity | 0.5854 | NPC29326 |
Remote Similarity | 0.5849 | NPC471202 |
Remote Similarity | 0.5849 | NPC63191 |
Remote Similarity | 0.5842 | NPC128303 |
Remote Similarity | 0.5795 | NPC84128 |
Remote Similarity | 0.5795 | NPC53858 |
Remote Similarity | 0.5783 | NPC126186 |
Remote Similarity | 0.5699 | NPC275715 |
Remote Similarity | 0.5684 | NPC173763 |
Remote Similarity | 0.5684 | NPC62263 |
Remote Similarity | 0.5684 | NPC471098 |
Remote Similarity | 0.5657 | NPC220234 |
Remote Similarity | 0.5647 | NPC470782 |
Remote Similarity | 0.5638 | NPC475801 |
Remote Similarity | 0.5638 | NPC474593 |
Molecular Weight   | 265.18 |
ALogP   | -1.6857 |
MLogP   | 2.45 |
XLogP   | 0.316 |
HDA   | 5 |
HBD   | 1 |
Rotatable Bonds   | 5 |
TPSA   | 56.14 |
RO5 Violation   | 0 |