Drug ID:   | NPD6032 |
Drug Name:   | Sarpogrelate |
Molecular Formula:   | C24H31NO6 |
Canonical SMILES:   | COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C |
Standard InCHI:   | InChI=1S/C24H31NO6/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27) |
Standard InCHIKey:   | FFYNAVGJSYHHFO-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; IUPHAR/BPS |
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 | 0.7986 | NPC318591 |
Intermediate Similarity | 0.7986 | NPC231163 |
Intermediate Similarity | 0.7721 | NPC98748 |
Intermediate Similarity | 0.7714 | NPC136112 |
Intermediate Similarity | 0.7714 | NPC141739 |
Intermediate Similarity | 0.7714 | NPC170749 |
Intermediate Similarity | 0.7703 | NPC204546 |
Intermediate Similarity | 0.7698 | NPC279379 |
Intermediate Similarity | 0.7643 | NPC474237 |
Intermediate Similarity | 0.7622 | NPC241354 |
Intermediate Similarity | 0.7609 | NPC322569 |
Intermediate Similarity | 0.7606 | NPC473993 |
Intermediate Similarity | 0.7591 | NPC234956 |
Intermediate Similarity | 0.7586 | NPC317601 |
Intermediate Similarity | 0.7586 | NPC329427 |
Intermediate Similarity | 0.7569 | NPC476399 |
Intermediate Similarity | 0.7556 | NPC51345 |
Intermediate Similarity | 0.7551 | NPC475011 |
Intermediate Similarity | 0.7551 | NPC476018 |
Intermediate Similarity | 0.7551 | NPC475029 |
Intermediate Similarity | 0.7536 | NPC31314 |
Intermediate Similarity | 0.7536 | NPC321133 |
Intermediate Similarity | 0.7536 | NPC193193 |
Intermediate Similarity | 0.7535 | NPC329272 |
Intermediate Similarity | 0.7517 | NPC470392 |
Intermediate Similarity | 0.75 | NPC313414 |
Intermediate Similarity | 0.75 | NPC188997 |
Intermediate Similarity | 0.75 | NPC302211 |
Intermediate Similarity | 0.75 | NPC471876 |
Intermediate Similarity | 0.7483 | NPC68779 |
Intermediate Similarity | 0.7483 | NPC4982 |
Intermediate Similarity | 0.7483 | NPC300776 |
Intermediate Similarity | 0.7483 | NPC5310 |
Intermediate Similarity | 0.7483 | NPC176814 |
Intermediate Similarity | 0.7483 | NPC131971 |
Intermediate Similarity | 0.7483 | NPC95034 |
Intermediate Similarity | 0.7483 | NPC142087 |
Intermediate Similarity | 0.7483 | NPC223807 |
Intermediate Similarity | 0.7482 | NPC471877 |
Intermediate Similarity | 0.7465 | NPC320242 |
Intermediate Similarity | 0.7452 | NPC212699 |
Intermediate Similarity | 0.7452 | NPC207675 |
Intermediate Similarity | 0.7451 | NPC132771 |
Intermediate Similarity | 0.745 | NPC281780 |
Intermediate Similarity | 0.7448 | NPC475880 |
Intermediate Similarity | 0.7448 | NPC475102 |
Intermediate Similarity | 0.7447 | NPC470887 |
Intermediate Similarity | 0.7447 | NPC474130 |
Intermediate Similarity | 0.7447 | NPC255253 |
Intermediate Similarity | 0.7447 | NPC261992 |
Intermediate Similarity | 0.7432 | NPC281169 |
Intermediate Similarity | 0.7432 | NPC311430 |
Intermediate Similarity | 0.7432 | NPC291119 |
Intermediate Similarity | 0.7432 | NPC113295 |
Intermediate Similarity | 0.7432 | NPC224941 |
Intermediate Similarity | 0.7431 | NPC226661 |
Intermediate Similarity | 0.7431 | NPC210674 |
Intermediate Similarity | 0.7419 | NPC182119 |
Intermediate Similarity | 0.7419 | NPC236166 |
Intermediate Similarity | 0.7417 | NPC100675 |
Intermediate Similarity | 0.7413 | NPC120225 |
Intermediate Similarity | 0.7413 | NPC213552 |
Intermediate Similarity | 0.741 | NPC328485 |
Intermediate Similarity | 0.7407 | NPC190212 |
Intermediate Similarity | 0.74 | NPC476025 |
Intermediate Similarity | 0.74 | NPC475028 |
Intermediate Similarity | 0.74 | NPC189724 |
Intermediate Similarity | 0.74 | NPC212850 |
Intermediate Similarity | 0.74 | NPC83289 |
Intermediate Similarity | 0.7394 | NPC109822 |
Intermediate Similarity | 0.7394 | NPC94276 |
Intermediate Similarity | 0.7394 | NPC140521 |
Intermediate Similarity | 0.7394 | NPC89630 |
Intermediate Similarity | 0.7391 | NPC283616 |
Intermediate Similarity | 0.7391 | NPC474214 |
Intermediate Similarity | 0.7391 | NPC159916 |
Intermediate Similarity | 0.7386 | NPC473090 |
Intermediate Similarity | 0.7386 | NPC304956 |
Intermediate Similarity | 0.7383 | NPC471719 |
Intermediate Similarity | 0.7383 | NPC92932 |
Intermediate Similarity | 0.7383 | NPC90431 |
Intermediate Similarity | 0.7379 | NPC59654 |
Intermediate Similarity | 0.7376 | NPC204535 |
Intermediate Similarity | 0.7376 | NPC46586 |
Intermediate Similarity | 0.7376 | NPC473464 |
Intermediate Similarity | 0.7376 | NPC325301 |
Intermediate Similarity | 0.7376 | NPC71090 |
Intermediate Similarity | 0.7376 | NPC476332 |
Intermediate Similarity | 0.7372 | NPC33717 |
Intermediate Similarity | 0.7365 | NPC211164 |
Intermediate Similarity | 0.7365 | NPC67247 |
Intermediate Similarity | 0.7365 | NPC309744 |
Intermediate Similarity | 0.7365 | NPC34456 |
Intermediate Similarity | 0.7362 | NPC329717 |
Intermediate Similarity | 0.7362 | NPC474858 |
Intermediate Similarity | 0.7357 | NPC267064 |
Intermediate Similarity | 0.7357 | NPC473875 |
Intermediate Similarity | 0.7347 | NPC230219 |
Intermediate Similarity | 0.7343 | NPC88403 |
Intermediate Similarity | 0.7343 | NPC280767 |
Intermediate Similarity | 0.7343 | NPC289459 |
Intermediate Similarity | 0.7343 | NPC249836 |
Intermediate Similarity | 0.7342 | NPC56635 |
Intermediate Similarity | 0.7338 | NPC53884 |
Intermediate Similarity | 0.7338 | NPC258671 |
Intermediate Similarity | 0.7338 | NPC474320 |
Intermediate Similarity | 0.7338 | NPC163898 |
Intermediate Similarity | 0.7333 | NPC155963 |
Intermediate Similarity | 0.7333 | NPC126206 |
Intermediate Similarity | 0.7333 | NPC26615 |
Intermediate Similarity | 0.7333 | NPC280760 |
Intermediate Similarity | 0.7329 | NPC79184 |
Intermediate Similarity | 0.7329 | NPC307042 |
Intermediate Similarity | 0.7329 | NPC158900 |
Intermediate Similarity | 0.7324 | NPC320287 |
Intermediate Similarity | 0.7321 | NPC329816 |
Intermediate Similarity | 0.7315 | NPC161856 |
Intermediate Similarity | 0.7315 | NPC51087 |
Intermediate Similarity | 0.731 | NPC219923 |
Intermediate Similarity | 0.731 | NPC176590 |
Intermediate Similarity | 0.731 | NPC478215 |
Intermediate Similarity | 0.731 | NPC283079 |
Intermediate Similarity | 0.7308 | NPC477879 |
Intermediate Similarity | 0.7305 | NPC127389 |
Intermediate Similarity | 0.7305 | NPC476165 |
Intermediate Similarity | 0.7305 | NPC290451 |
Intermediate Similarity | 0.7303 | NPC475044 |
Intermediate Similarity | 0.7303 | NPC475063 |
Intermediate Similarity | 0.7299 | NPC301321 |
Intermediate Similarity | 0.7297 | NPC263064 |
Intermediate Similarity | 0.7297 | NPC26394 |
Intermediate Similarity | 0.7297 | NPC470871 |
Intermediate Similarity | 0.7292 | NPC178284 |
Intermediate Similarity | 0.7292 | NPC191037 |
Intermediate Similarity | 0.7292 | NPC58607 |
Intermediate Similarity | 0.729 | NPC277857 |
Intermediate Similarity | 0.729 | NPC115144 |
Intermediate Similarity | 0.7286 | NPC471504 |
Intermediate Similarity | 0.7286 | NPC232295 |
Intermediate Similarity | 0.7286 | NPC473290 |
Intermediate Similarity | 0.7286 | NPC474874 |
Intermediate Similarity | 0.7285 | NPC151946 |
Intermediate Similarity | 0.7285 | NPC475005 |
Intermediate Similarity | 0.7285 | NPC474943 |
Intermediate Similarity | 0.7285 | NPC265335 |
Intermediate Similarity | 0.7284 | NPC469479 |
Intermediate Similarity | 0.7279 | NPC474246 |
Intermediate Similarity | 0.7279 | NPC247018 |
Intermediate Similarity | 0.7279 | NPC307123 |
Intermediate Similarity | 0.7279 | NPC97870 |
Intermediate Similarity | 0.7279 | NPC474143 |
Intermediate Similarity | 0.7273 | NPC190086 |
Intermediate Similarity | 0.7273 | NPC147896 |
Intermediate Similarity | 0.7273 | NPC48990 |
Intermediate Similarity | 0.7273 | NPC78446 |
Intermediate Similarity | 0.7273 | NPC293701 |
Intermediate Similarity | 0.7273 | NPC246704 |
Intermediate Similarity | 0.7273 | NPC114901 |
Intermediate Similarity | 0.7273 | NPC276962 |
Intermediate Similarity | 0.7267 | NPC471988 |
Intermediate Similarity | 0.7267 | NPC471664 |
Intermediate Similarity | 0.7267 | NPC38099 |
Intermediate Similarity | 0.7267 | NPC329640 |
Intermediate Similarity | 0.7267 | NPC471665 |
Intermediate Similarity | 0.7267 | NPC26954 |
Intermediate Similarity | 0.7266 | NPC206205 |
Intermediate Similarity | 0.7266 | NPC205502 |
Intermediate Similarity | 0.7266 | NPC474040 |
Intermediate Similarity | 0.7266 | NPC277460 |
Intermediate Similarity | 0.726 | NPC271832 |
Intermediate Similarity | 0.726 | NPC238309 |
Intermediate Similarity | 0.726 | NPC97326 |
Intermediate Similarity | 0.726 | NPC83062 |
Intermediate Similarity | 0.7255 | NPC164599 |
Intermediate Similarity | 0.7255 | NPC184053 |
Intermediate Similarity | 0.7254 | NPC471314 |
Intermediate Similarity | 0.7254 | NPC327070 |
Intermediate Similarity | 0.7254 | NPC471315 |
Intermediate Similarity | 0.7254 | NPC132518 |
Intermediate Similarity | 0.7254 | NPC477151 |
Intermediate Similarity | 0.7248 | NPC187616 |
Intermediate Similarity | 0.7248 | NPC264956 |
Intermediate Similarity | 0.7248 | NPC49603 |
Intermediate Similarity | 0.7248 | NPC193026 |
Intermediate Similarity | 0.7248 | NPC135127 |
Intermediate Similarity | 0.7248 | NPC477210 |
Intermediate Similarity | 0.7248 | NPC473054 |
Intermediate Similarity | 0.7246 | NPC154256 |
Intermediate Similarity | 0.7246 | NPC290470 |
Intermediate Similarity | 0.7244 | NPC143892 |
Intermediate Similarity | 0.7244 | NPC299090 |
Intermediate Similarity | 0.7244 | NPC283081 |
Intermediate Similarity | 0.7244 | NPC206579 |
Intermediate Similarity | 0.7244 | NPC221383 |
Intermediate Similarity | 0.7244 | NPC11800 |
Intermediate Similarity | 0.7241 | NPC292056 |
Intermediate Similarity | 0.7241 | NPC319625 |
Intermediate Similarity | 0.7241 | NPC41706 |
Intermediate Similarity | 0.7241 | NPC242032 |
Intermediate Similarity | 0.7241 | NPC98745 |
Molecular Weight   | 429.22 |
ALogP   | -0.1518 |
MLogP   | 3.33 |
XLogP   | 4.512 |
HDA   | 5 |
HBD   | 1 |
Rotatable Bonds   | 18 |
TPSA   | 85.3 |
RO5 Violation   | 1 |