Drug ID:   | NPD9217 |
Drug Name:   | |
Molecular Formula:   | C7H14NO5P |
Canonical SMILES:   | OC(=O)[C@H]1NCC[C@H](C1)CP(=O)(O)O |
Standard InCHI:   | InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1 |
Standard InCHIKey:   | LPMRCCNDNGONCD-RITPCOANSA-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 | 0.806 | NPC64250 |
Intermediate Similarity | 0.806 | NPC276928 |
Intermediate Similarity | 0.806 | NPC268927 |
Intermediate Similarity | 0.7568 | NPC15864 |
Intermediate Similarity | 0.72 | NPC107224 |
Intermediate Similarity | 0.7051 | NPC185084 |
Remote Similarity | 0.6667 | NPC245346 |
Remote Similarity | 0.6667 | NPC11433 |
Remote Similarity | 0.6667 | NPC302003 |
Remote Similarity | 0.6528 | NPC278209 |
Remote Similarity | 0.6471 | NPC316231 |
Remote Similarity | 0.6471 | NPC226027 |
Remote Similarity | 0.6471 | NPC174246 |
Remote Similarity | 0.6471 | NPC245027 |
Remote Similarity | 0.6471 | NPC162620 |
Remote Similarity | 0.6471 | NPC84636 |
Remote Similarity | 0.6471 | NPC112890 |
Remote Similarity | 0.6471 | NPC62045 |
Remote Similarity | 0.6471 | NPC324825 |
Remote Similarity | 0.6471 | NPC43204 |
Remote Similarity | 0.641 | NPC188231 |
Remote Similarity | 0.641 | NPC222327 |
Remote Similarity | 0.6404 | NPC69374 |
Remote Similarity | 0.6404 | NPC90476 |
Remote Similarity | 0.6395 | NPC219340 |
Remote Similarity | 0.6377 | NPC315977 |
Remote Similarity | 0.6364 | NPC472609 |
Remote Similarity | 0.6338 | NPC279661 |
Remote Similarity | 0.6338 | NPC183845 |
Remote Similarity | 0.6286 | NPC155512 |
Remote Similarity | 0.6216 | NPC319279 |
Remote Similarity | 0.6154 | NPC278881 |
Remote Similarity | 0.6071 | NPC327272 |
Remote Similarity | 0.6053 | NPC327170 |
Remote Similarity | 0.6053 | NPC329564 |
Remote Similarity | 0.6 | NPC78312 |
Remote Similarity | 0.6 | NPC135539 |
Remote Similarity | 0.6 | NPC221764 |
Remote Similarity | 0.6 | NPC189301 |
Remote Similarity | 0.6 | NPC196359 |
Remote Similarity | 0.6 | NPC176164 |
Remote Similarity | 0.597 | NPC323974 |
Remote Similarity | 0.5921 | NPC317143 |
Remote Similarity | 0.5921 | NPC320598 |
Remote Similarity | 0.5921 | NPC254541 |
Remote Similarity | 0.5921 | NPC316826 |
Remote Similarity | 0.5921 | NPC321468 |
Remote Similarity | 0.5921 | NPC327748 |
Remote Similarity | 0.5904 | NPC306973 |
Remote Similarity | 0.5882 | NPC118459 |
Remote Similarity | 0.5882 | NPC327698 |
Remote Similarity | 0.5875 | NPC325534 |
Remote Similarity | 0.5867 | NPC317147 |
Remote Similarity | 0.5867 | NPC318260 |
Remote Similarity | 0.5857 | NPC140872 |
Remote Similarity | 0.5857 | NPC93081 |
Remote Similarity | 0.5844 | NPC177191 |
Remote Similarity | 0.5833 | NPC315897 |
Remote Similarity | 0.5833 | NPC200550 |
Remote Similarity | 0.5833 | NPC155156 |
Remote Similarity | 0.5816 | NPC40663 |
Remote Similarity | 0.5789 | NPC190385 |
Remote Similarity | 0.5769 | NPC118429 |
Remote Similarity | 0.5765 | NPC208657 |
Remote Similarity | 0.5735 | NPC132307 |
Remote Similarity | 0.5735 | NPC325097 |
Remote Similarity | 0.5735 | NPC126925 |
Remote Similarity | 0.5735 | NPC198301 |
Remote Similarity | 0.5694 | NPC137958 |
Remote Similarity | 0.5694 | NPC273330 |
Remote Similarity | 0.5679 | NPC287693 |
Remote Similarity | 0.5663 | NPC322274 |
Remote Similarity | 0.5658 | NPC283786 |
Remote Similarity | 0.5641 | NPC68974 |
Remote Similarity | 0.5625 | NPC226453 |
Remote Similarity | 0.5625 | NPC103130 |
Remote Similarity | 0.5616 | NPC322946 |
Remote Similarity | 0.561 | NPC314221 |
Remote Similarity | 0.561 | NPC60424 |
Remote Similarity | 0.5604 | NPC53858 |
Remote Similarity | 0.5604 | NPC84128 |
Molecular Weight   | 223.06 |
ALogP   | -2.4048 |
MLogP   | 1.46 |
XLogP   | -1.48 |
HDA   | 6 |
HBD   | 4 |
Rotatable Bonds   | 6 |
TPSA   | 116.67 |
RO5 Violation   | 0 |