Drug ID:   | NPD7427 |
Drug Name:   | KF-15766 |
Molecular Formula:   | C30H31NO3 |
Canonical SMILES:   | OC(=O)Cc1ccc2c(c1)/C(=C/CN1CCC(CC1)Cc1ccccc1)/c1ccccc1CO2 |
Standard InCHI:   | InChI=1S/C30H31NO3/c32-30(33)20-24-10-11-29-28(19-24)27(26-9-5-4-8-25(26)21-34-29)14-17-31-15-12-23(13-16-31)18-22-6-2-1-3-7-22/h1-11,14,19,23H,12-13,15-18,20-21H2,(H,32,33)/b27-14+ |
Standard InCHIKey:   | PPABRKQHBMJESP-MZJWZYIUSA-N |
Max Developmental Stage:   | Discontinued |
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 | 0.7891 | NPC475102 |
Intermediate Similarity | 0.7635 | NPC283079 |
Intermediate Similarity | 0.7603 | NPC111088 |
Intermediate Similarity | 0.76 | NPC469437 |
Intermediate Similarity | 0.7597 | NPC265335 |
Intermediate Similarity | 0.7574 | NPC227683 |
Intermediate Similarity | 0.7566 | NPC213122 |
Intermediate Similarity | 0.7533 | NPC249425 |
Intermediate Similarity | 0.7531 | NPC204561 |
Intermediate Similarity | 0.7531 | NPC316960 |
Intermediate Similarity | 0.7531 | NPC78835 |
Intermediate Similarity | 0.7531 | NPC317715 |
Intermediate Similarity | 0.7531 | NPC148945 |
Intermediate Similarity | 0.7531 | NPC309512 |
Intermediate Similarity | 0.7518 | NPC51345 |
Intermediate Similarity | 0.75 | NPC309692 |
Intermediate Similarity | 0.75 | NPC321133 |
Intermediate Similarity | 0.75 | NPC142863 |
Intermediate Similarity | 0.7483 | NPC89630 |
Intermediate Similarity | 0.7483 | NPC470392 |
Intermediate Similarity | 0.7469 | NPC140133 |
Intermediate Similarity | 0.7468 | NPC474599 |
Intermediate Similarity | 0.7439 | NPC476443 |
Intermediate Similarity | 0.7439 | NPC133817 |
Intermediate Similarity | 0.7436 | NPC79372 |
Intermediate Similarity | 0.7434 | NPC325568 |
Intermediate Similarity | 0.7423 | NPC48671 |
Intermediate Similarity | 0.7389 | NPC155552 |
Intermediate Similarity | 0.7376 | NPC109241 |
Intermediate Similarity | 0.7368 | NPC129578 |
Intermediate Similarity | 0.7362 | NPC26601 |
Intermediate Similarity | 0.7349 | NPC221864 |
Intermediate Similarity | 0.7341 | NPC241704 |
Intermediate Similarity | 0.7325 | NPC76312 |
Intermediate Similarity | 0.7325 | NPC476191 |
Intermediate Similarity | 0.7325 | NPC470925 |
Intermediate Similarity | 0.7325 | NPC71903 |
Intermediate Similarity | 0.7312 | NPC295696 |
Intermediate Similarity | 0.7312 | NPC290038 |
Intermediate Similarity | 0.7308 | NPC83019 |
Intermediate Similarity | 0.7305 | NPC119649 |
Intermediate Similarity | 0.7305 | NPC271388 |
Intermediate Similarity | 0.7305 | NPC230956 |
Intermediate Similarity | 0.7305 | NPC205255 |
Intermediate Similarity | 0.7305 | NPC235143 |
Intermediate Similarity | 0.729 | NPC106606 |
Intermediate Similarity | 0.7289 | NPC79328 |
Intermediate Similarity | 0.7278 | NPC170812 |
Intermediate Similarity | 0.7278 | NPC29599 |
Intermediate Similarity | 0.7278 | NPC177100 |
Intermediate Similarity | 0.7278 | NPC139540 |
Intermediate Similarity | 0.7273 | NPC49742 |
Intermediate Similarity | 0.7273 | NPC44606 |
Intermediate Similarity | 0.7267 | NPC95075 |
Intermediate Similarity | 0.7267 | NPC253883 |
Intermediate Similarity | 0.7267 | NPC90844 |
Intermediate Similarity | 0.7267 | NPC144863 |
Intermediate Similarity | 0.7267 | NPC476151 |
Intermediate Similarity | 0.7262 | NPC80759 |
Intermediate Similarity | 0.7262 | NPC79402 |
Intermediate Similarity | 0.7262 | NPC60186 |
Intermediate Similarity | 0.7261 | NPC202260 |
Intermediate Similarity | 0.7257 | NPC32154 |
Intermediate Similarity | 0.7255 | NPC313663 |
Intermediate Similarity | 0.7255 | NPC258073 |
Intermediate Similarity | 0.7253 | NPC204580 |
Intermediate Similarity | 0.7248 | NPC107846 |
Intermediate Similarity | 0.7248 | NPC75432 |
Intermediate Similarity | 0.7246 | NPC165483 |
Intermediate Similarity | 0.7244 | NPC474610 |
Intermediate Similarity | 0.7239 | NPC106328 |
Intermediate Similarity | 0.7239 | NPC35150 |
Intermediate Similarity | 0.7239 | NPC146388 |
Intermediate Similarity | 0.7226 | NPC196708 |
Intermediate Similarity | 0.7222 | NPC286038 |
Intermediate Similarity | 0.7219 | NPC114147 |
Intermediate Similarity | 0.7219 | NPC428300 |
Intermediate Similarity | 0.7216 | NPC115906 |
Intermediate Similarity | 0.7212 | NPC312549 |
Intermediate Similarity | 0.7212 | NPC209142 |
Intermediate Similarity | 0.7212 | NPC178484 |
Intermediate Similarity | 0.7212 | NPC56635 |
Intermediate Similarity | 0.7208 | NPC266425 |
Intermediate Similarity | 0.7205 | NPC43716 |
Intermediate Similarity | 0.7205 | NPC101255 |
Intermediate Similarity | 0.7205 | NPC475719 |
Intermediate Similarity | 0.7205 | NPC71739 |
Intermediate Similarity | 0.7205 | NPC260152 |
Intermediate Similarity | 0.7202 | NPC475780 |
Intermediate Similarity | 0.7202 | NPC318527 |
Intermediate Similarity | 0.7202 | NPC323627 |
Intermediate Similarity | 0.7202 | NPC166014 |
Intermediate Similarity | 0.7202 | NPC27410 |
Intermediate Similarity | 0.7202 | NPC324358 |
Intermediate Similarity | 0.7202 | NPC322459 |
Intermediate Similarity | 0.72 | NPC327005 |
Intermediate Similarity | 0.72 | NPC137416 |
Intermediate Similarity | 0.7195 | NPC326316 |
Intermediate Similarity | 0.7195 | NPC103116 |
Intermediate Similarity | 0.7195 | NPC81733 |
Intermediate Similarity | 0.7192 | NPC264976 |
Intermediate Similarity | 0.719 | NPC470725 |
Intermediate Similarity | 0.719 | NPC245395 |
Intermediate Similarity | 0.719 | NPC109778 |
Intermediate Similarity | 0.719 | NPC2989 |
Intermediate Similarity | 0.7188 | NPC197461 |
Intermediate Similarity | 0.7181 | NPC255253 |
Intermediate Similarity | 0.7178 | NPC219162 |
Intermediate Similarity | 0.7178 | NPC66991 |
Intermediate Similarity | 0.7178 | NPC477565 |
Intermediate Similarity | 0.7178 | NPC103379 |
Intermediate Similarity | 0.7178 | NPC92541 |
Intermediate Similarity | 0.7176 | NPC114652 |
Intermediate Similarity | 0.7176 | NPC175513 |
Intermediate Similarity | 0.7176 | NPC97812 |
Intermediate Similarity | 0.717 | NPC473499 |
Intermediate Similarity | 0.717 | NPC183642 |
Intermediate Similarity | 0.717 | NPC254994 |
Intermediate Similarity | 0.717 | NPC310370 |
Intermediate Similarity | 0.7169 | NPC123323 |
Intermediate Similarity | 0.7161 | NPC473360 |
Intermediate Similarity | 0.716 | NPC39045 |
Intermediate Similarity | 0.716 | NPC470136 |
Intermediate Similarity | 0.716 | NPC271288 |
Intermediate Similarity | 0.716 | NPC195167 |
Intermediate Similarity | 0.716 | NPC166456 |
Intermediate Similarity | 0.716 | NPC470135 |
Intermediate Similarity | 0.716 | NPC98083 |
Intermediate Similarity | 0.716 | NPC7543 |
Intermediate Similarity | 0.716 | NPC94220 |
Intermediate Similarity | 0.716 | NPC24339 |
Intermediate Similarity | 0.7152 | NPC475890 |
Intermediate Similarity | 0.7152 | NPC218323 |
Intermediate Similarity | 0.7152 | NPC307883 |
Intermediate Similarity | 0.7151 | NPC474881 |
Intermediate Similarity | 0.7143 | NPC470977 |
Intermediate Similarity | 0.7143 | NPC478121 |
Intermediate Similarity | 0.7143 | NPC55463 |
Intermediate Similarity | 0.7143 | NPC264938 |
Intermediate Similarity | 0.7143 | NPC196979 |
Intermediate Similarity | 0.7143 | NPC470976 |
Intermediate Similarity | 0.7143 | NPC166116 |
Intermediate Similarity | 0.7143 | NPC145304 |
Intermediate Similarity | 0.7143 | NPC472840 |
Intermediate Similarity | 0.7143 | NPC185838 |
Intermediate Similarity | 0.7135 | NPC124657 |
Intermediate Similarity | 0.7135 | NPC149571 |
Intermediate Similarity | 0.7135 | NPC195392 |
Intermediate Similarity | 0.7134 | NPC95526 |
Intermediate Similarity | 0.7134 | NPC474556 |
Intermediate Similarity | 0.7126 | NPC121568 |
Intermediate Similarity | 0.7126 | NPC323443 |
Intermediate Similarity | 0.7126 | NPC180756 |
Intermediate Similarity | 0.7126 | NPC29647 |
Intermediate Similarity | 0.7125 | NPC184053 |
Intermediate Similarity | 0.7124 | NPC238309 |
Intermediate Similarity | 0.7124 | NPC241354 |
Intermediate Similarity | 0.7124 | NPC473019 |
Intermediate Similarity | 0.7124 | NPC206028 |
Intermediate Similarity | 0.7123 | NPC293424 |
Intermediate Similarity | 0.7118 | NPC184326 |
Intermediate Similarity | 0.7118 | NPC233650 |
Intermediate Similarity | 0.7118 | NPC1229 |
Intermediate Similarity | 0.7118 | NPC292863 |
Intermediate Similarity | 0.7117 | NPC473078 |
Intermediate Similarity | 0.7117 | NPC470134 |
Intermediate Similarity | 0.7117 | NPC470132 |
Intermediate Similarity | 0.7117 | NPC211565 |
Intermediate Similarity | 0.7117 | NPC470019 |
Intermediate Similarity | 0.7117 | NPC109183 |
Intermediate Similarity | 0.7117 | NPC470133 |
Intermediate Similarity | 0.7117 | NPC470131 |
Intermediate Similarity | 0.7117 | NPC7467 |
Intermediate Similarity | 0.7117 | NPC147250 |
Intermediate Similarity | 0.7117 | NPC25844 |
Intermediate Similarity | 0.7115 | NPC473107 |
Intermediate Similarity | 0.7115 | NPC27394 |
Intermediate Similarity | 0.7114 | NPC150026 |
Intermediate Similarity | 0.7114 | NPC121168 |
Intermediate Similarity | 0.7105 | NPC186889 |
Intermediate Similarity | 0.7104 | NPC470646 |
Intermediate Similarity | 0.7101 | NPC158542 |
Intermediate Similarity | 0.7099 | NPC308006 |
Intermediate Similarity | 0.7097 | NPC183103 |
Intermediate Similarity | 0.7097 | NPC132308 |
Intermediate Similarity | 0.7097 | NPC169766 |
Intermediate Similarity | 0.7093 | NPC284842 |
Intermediate Similarity | 0.7093 | NPC298979 |
Intermediate Similarity | 0.7092 | NPC234639 |
Intermediate Similarity | 0.7091 | NPC146014 |
Intermediate Similarity | 0.7091 | NPC164205 |
Intermediate Similarity | 0.7091 | NPC473016 |
Intermediate Similarity | 0.7091 | NPC104236 |
Intermediate Similarity | 0.7091 | NPC19238 |
Intermediate Similarity | 0.7091 | NPC261322 |
Intermediate Similarity | 0.7091 | NPC472837 |
Intermediate Similarity | 0.7091 | NPC472298 |
Intermediate Similarity | 0.7089 | NPC186647 |
Intermediate Similarity | 0.7086 | NPC28476 |
Intermediate Similarity | 0.7086 | NPC133407 |
TTD   | DIB005423 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 453.23 |
ALogP   | -0.5882 |
MLogP   | 4.32 |
XLogP   | 8.813 |
HDA   | 3 |
HBD   | 1 |
Rotatable Bonds   | 7 |
TPSA   | 49.77 |
RO5 Violation   | 1 |