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
●  The left chart: Distribution of similarity level between NPC469446 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
0.9032 | High Similarity | NPC68044 |
0.8361 | Intermediate Similarity | NPC25038 |
0.7879 | Intermediate Similarity | NPC15193 |
0.7647 | Intermediate Similarity | NPC477456 |
0.7647 | Intermediate Similarity | NPC477457 |
0.7639 | Intermediate Similarity | NPC133098 |
0.7222 | Intermediate Similarity | NPC238223 |
0.7222 | Intermediate Similarity | NPC477117 |
0.7206 | Intermediate Similarity | NPC429928 |
0.7125 | Intermediate Similarity | NPC10080 |
0.7125 | Intermediate Similarity | NPC123908 |
0.7121 | Intermediate Similarity | NPC86948 |
0.7083 | Intermediate Similarity | NPC132286 |
0.7059 | Intermediate Similarity | NPC133600 |
0.7042 | Intermediate Similarity | NPC182794 |
0.686 | Remote Similarity | NPC274075 |
0.6835 | Remote Similarity | NPC264391 |
0.6812 | Remote Similarity | NPC22897 |
0.6812 | Remote Similarity | NPC159650 |
0.6806 | Remote Similarity | NPC471556 |
0.6786 | Remote Similarity | NPC47220 |
0.6786 | Remote Similarity | NPC186332 |
0.6712 | Remote Similarity | NPC315115 |
0.6712 | Remote Similarity | NPC37382 |
0.6712 | Remote Similarity | NPC470033 |
0.6667 | Remote Similarity | NPC327253 |
0.6627 | Remote Similarity | NPC288281 |
0.6622 | Remote Similarity | NPC298249 |
0.6622 | Remote Similarity | NPC251429 |
0.6622 | Remote Similarity | NPC203335 |
0.6618 | Remote Similarity | NPC221763 |
0.6618 | Remote Similarity | NPC150717 |
0.6582 | Remote Similarity | NPC271986 |
0.6579 | Remote Similarity | NPC315285 |
0.6579 | Remote Similarity | NPC476012 |
0.6575 | Remote Similarity | NPC471565 |
0.6575 | Remote Similarity | NPC131174 |
0.6575 | Remote Similarity | NPC476589 |
0.6575 | Remote Similarity | NPC471566 |
0.6562 | Remote Similarity | NPC234084 |
0.6533 | Remote Similarity | NPC280374 |
0.6533 | Remote Similarity | NPC474823 |
0.6533 | Remote Similarity | NPC287705 |
0.6533 | Remote Similarity | NPC313444 |
0.6528 | Remote Similarity | NPC2328 |
0.6517 | Remote Similarity | NPC320552 |
0.6515 | Remote Similarity | NPC191643 |
0.65 | Remote Similarity | NPC471225 |
0.65 | Remote Similarity | NPC473825 |
0.65 | Remote Similarity | NPC315394 |
0.65 | Remote Similarity | NPC475711 |
0.6494 | Remote Similarity | NPC475762 |
0.6494 | Remote Similarity | NPC178575 |
0.6479 | Remote Similarity | NPC309408 |
0.6479 | Remote Similarity | NPC26223 |
0.6479 | Remote Similarity | NPC79756 |
0.6471 | Remote Similarity | NPC242233 |
0.6471 | Remote Similarity | NPC471223 |
0.6471 | Remote Similarity | NPC173157 |
0.6471 | Remote Similarity | NPC67081 |
0.6456 | Remote Similarity | NPC206507 |
0.6456 | Remote Similarity | NPC147621 |
0.6456 | Remote Similarity | NPC210258 |
0.6447 | Remote Similarity | NPC475004 |
0.6429 | Remote Similarity | NPC23418 |
0.6418 | Remote Similarity | NPC474805 |
0.641 | Remote Similarity | NPC327383 |
0.641 | Remote Similarity | NPC329914 |
0.641 | Remote Similarity | NPC185186 |
0.6404 | Remote Similarity | NPC114172 |
0.6404 | Remote Similarity | NPC206679 |
0.6404 | Remote Similarity | NPC471324 |
0.6389 | Remote Similarity | NPC151648 |
0.6364 | Remote Similarity | NPC315597 |
0.6364 | Remote Similarity | NPC316029 |
0.6364 | Remote Similarity | NPC210216 |
0.6364 | Remote Similarity | NPC59558 |
0.6364 | Remote Similarity | NPC476037 |
0.6351 | Remote Similarity | NPC220766 |
0.6351 | Remote Similarity | NPC7940 |
0.6341 | Remote Similarity | NPC271632 |
0.6341 | Remote Similarity | NPC291260 |
0.6338 | Remote Similarity | NPC473494 |
0.6338 | Remote Similarity | NPC286189 |
0.6333 | Remote Similarity | NPC159092 |
0.6333 | Remote Similarity | NPC109406 |
0.6324 | Remote Similarity | NPC129710 |
0.6324 | Remote Similarity | NPC218486 |
0.6324 | Remote Similarity | NPC317796 |
0.6316 | Remote Similarity | NPC79220 |
0.6301 | Remote Similarity | NPC217940 |
0.6301 | Remote Similarity | NPC210303 |
0.6301 | Remote Similarity | NPC132243 |
0.6301 | Remote Similarity | NPC44343 |
0.6301 | Remote Similarity | NPC473737 |
0.6301 | Remote Similarity | NPC179087 |
0.6282 | Remote Similarity | NPC181587 |
0.6279 | Remote Similarity | NPC471060 |
0.6279 | Remote Similarity | NPC281172 |
0.6267 | Remote Similarity | NPC191233 |
0.6267 | Remote Similarity | NPC248125 |
0.6265 | Remote Similarity | NPC162741 |
0.6265 | Remote Similarity | NPC91332 |
0.625 | Remote Similarity | NPC154908 |
0.625 | Remote Similarity | NPC252851 |
0.625 | Remote Similarity | NPC158368 |
0.625 | Remote Similarity | NPC315552 |
0.625 | Remote Similarity | NPC226872 |
0.625 | Remote Similarity | NPC285840 |
0.625 | Remote Similarity | NPC19241 |
0.625 | Remote Similarity | NPC327041 |
0.6235 | Remote Similarity | NPC475083 |
0.6234 | Remote Similarity | NPC151481 |
0.6234 | Remote Similarity | NPC470693 |
0.6234 | Remote Similarity | NPC232812 |
0.6222 | Remote Similarity | NPC476075 |
0.6222 | Remote Similarity | NPC476084 |
0.6216 | Remote Similarity | NPC25747 |
0.6216 | Remote Similarity | NPC148233 |
0.6216 | Remote Similarity | NPC308457 |
0.6216 | Remote Similarity | NPC475618 |
0.6212 | Remote Similarity | NPC220191 |
0.6212 | Remote Similarity | NPC275316 |
0.6211 | Remote Similarity | NPC169365 |
0.6211 | Remote Similarity | NPC197447 |
0.6207 | Remote Similarity | NPC291712 |
0.6203 | Remote Similarity | NPC316851 |
0.6203 | Remote Similarity | NPC329890 |
0.6197 | Remote Similarity | NPC139056 |
0.6196 | Remote Similarity | NPC170204 |
0.618 | Remote Similarity | NPC95364 |
0.618 | Remote Similarity | NPC142159 |
0.6173 | Remote Similarity | NPC188860 |
0.6163 | Remote Similarity | NPC474251 |
0.6154 | Remote Similarity | NPC64234 |
0.6154 | Remote Similarity | NPC37929 |
0.6145 | Remote Similarity | NPC139712 |
0.6136 | Remote Similarity | NPC125925 |
0.6136 | Remote Similarity | NPC313658 |
0.6136 | Remote Similarity | NPC471056 |
0.6136 | Remote Similarity | NPC199382 |
0.6136 | Remote Similarity | NPC316138 |
0.6136 | Remote Similarity | NPC471055 |
0.6136 | Remote Similarity | NPC241054 |
0.6133 | Remote Similarity | NPC96414 |
0.6133 | Remote Similarity | NPC133904 |
0.6125 | Remote Similarity | NPC474545 |
0.6125 | Remote Similarity | NPC470686 |
0.6125 | Remote Similarity | NPC477204 |
0.6119 | Remote Similarity | NPC22329 |
0.6111 | Remote Similarity | NPC203233 |
0.6104 | Remote Similarity | NPC475760 |
0.6104 | Remote Similarity | NPC470256 |
0.6104 | Remote Similarity | NPC470032 |
0.6098 | Remote Similarity | NPC474026 |
0.6098 | Remote Similarity | NPC54996 |
0.6098 | Remote Similarity | NPC68156 |
0.6098 | Remote Similarity | NPC233071 |
0.6098 | Remote Similarity | NPC316324 |
0.6092 | Remote Similarity | NPC307112 |
0.6092 | Remote Similarity | NPC470124 |
0.6087 | Remote Similarity | NPC478120 |
0.6081 | Remote Similarity | NPC57463 |
0.6081 | Remote Similarity | NPC151728 |
0.6076 | Remote Similarity | NPC477087 |
0.6076 | Remote Similarity | NPC477086 |
0.6076 | Remote Similarity | NPC477084 |
0.6076 | Remote Similarity | NPC316185 |
0.6071 | Remote Similarity | NPC474510 |
0.6071 | Remote Similarity | NPC268827 |
0.6067 | Remote Similarity | NPC60765 |
0.6067 | Remote Similarity | NPC472011 |
0.6067 | Remote Similarity | NPC106051 |
0.6064 | Remote Similarity | NPC475332 |
0.6056 | Remote Similarity | NPC200831 |
0.6056 | Remote Similarity | NPC299369 |
0.6056 | Remote Similarity | NPC224103 |
0.6056 | Remote Similarity | NPC474825 |
0.6053 | Remote Similarity | NPC124586 |
0.6053 | Remote Similarity | NPC146811 |
0.6053 | Remote Similarity | NPC201356 |
0.6049 | Remote Similarity | NPC478191 |
0.6049 | Remote Similarity | NPC478193 |
0.6049 | Remote Similarity | NPC469414 |
0.6049 | Remote Similarity | NPC478192 |
0.6049 | Remote Similarity | NPC478194 |
0.6049 | Remote Similarity | NPC478195 |
0.6049 | Remote Similarity | NPC478196 |
0.6049 | Remote Similarity | NPC329826 |
0.6044 | Remote Similarity | NPC114345 |
0.6044 | Remote Similarity | NPC327760 |
0.6044 | Remote Similarity | NPC193396 |
0.6044 | Remote Similarity | NPC303230 |
0.6044 | Remote Similarity | NPC32944 |
0.6044 | Remote Similarity | NPC166110 |
0.6044 | Remote Similarity | NPC32552 |
0.6044 | Remote Similarity | NPC6099 |
0.6027 | Remote Similarity | NPC130953 |
0.6027 | Remote Similarity | NPC127824 |
0.6026 | Remote Similarity | NPC269841 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC469446 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.6133 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6056 | Remote Similarity | NPD8779 | Phase 3 |
0.5904 | Remote Similarity | NPD4756 | Discovery |
0.5862 | Remote Similarity | NPD6110 | Phase 1 |
0.5844 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.5778 | Remote Similarity | NPD1282 | Approved |
0.5652 | Remote Similarity | NPD6927 | Phase 3 |
0.5618 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
PubChem CID   | 44557219 |
ChEMBL   | CHEMBL1078969 |
ZINC   |
Molecular Weight:   | 216.08 |
ALogP:   | -0.143 |
MLogP:   | 2.56 |
XLogP:   | 1.453 |
# Rotatable Bonds:   | 2 |
Polar Surface Area:   | 35.53 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 0 |
# Rings:   | 3 |
# Heavy Atoms:   | 16 |