Drug ID:   | NPD6597 |
Drug Name:   | Aclidinium Bromide |
Molecular Formula:   | C26H30NO4S2.BrH |
Canonical SMILES:   | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2.[Br-] |
Standard InCHI:   | InChI=1S/C26H30NO4S2.BrH/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21;/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2;1H/q+1;/p-1/t20?,22-,27?;/m0./s1 |
Standard InCHIKey:   | XLAKJQPTOJHYDR-QTQXQZBYSA-M |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL |
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 | 0.7419 | NPC149571 |
Remote Similarity | 0.6613 | NPC469479 |
Remote Similarity | 0.6573 | NPC189908 |
Remote Similarity | 0.6543 | NPC469505 |
Remote Similarity | 0.6497 | NPC329731 |
Remote Similarity | 0.6497 | NPC4910 |
Remote Similarity | 0.6495 | NPC329816 |
Remote Similarity | 0.6488 | NPC65310 |
Remote Similarity | 0.6482 | NPC477526 |
Remote Similarity | 0.6471 | NPC158900 |
Remote Similarity | 0.6467 | NPC56635 |
Remote Similarity | 0.6444 | NPC132771 |
Remote Similarity | 0.6441 | NPC204546 |
Remote Similarity | 0.6421 | NPC474858 |
Remote Similarity | 0.6396 | NPC229234 |
Remote Similarity | 0.6377 | NPC473803 |
Remote Similarity | 0.6374 | NPC214239 |
Remote Similarity | 0.6368 | NPC35345 |
Remote Similarity | 0.6364 | NPC297647 |
Remote Similarity | 0.6345 | NPC76433 |
Remote Similarity | 0.6345 | NPC289167 |
Remote Similarity | 0.6345 | NPC186957 |
Remote Similarity | 0.6345 | NPC473562 |
Remote Similarity | 0.6321 | NPC473245 |
Remote Similarity | 0.6321 | NPC70840 |
Remote Similarity | 0.6321 | NPC176304 |
Remote Similarity | 0.6305 | NPC184933 |
Remote Similarity | 0.6305 | NPC59827 |
Remote Similarity | 0.6298 | NPC313414 |
Remote Similarity | 0.6269 | NPC469437 |
Remote Similarity | 0.6264 | NPC470392 |
Remote Similarity | 0.625 | NPC196091 |
Remote Similarity | 0.625 | NPC329717 |
Remote Similarity | 0.6244 | NPC309692 |
Remote Similarity | 0.6238 | NPC473378 |
Remote Similarity | 0.6238 | NPC473407 |
Remote Similarity | 0.6231 | NPC315542 |
Remote Similarity | 0.623 | NPC223873 |
Remote Similarity | 0.6224 | NPC469964 |
Remote Similarity | 0.6224 | NPC472474 |
Remote Similarity | 0.6224 | NPC476236 |
Remote Similarity | 0.6219 | NPC230098 |
Remote Similarity | 0.6215 | NPC307682 |
Remote Similarity | 0.6214 | NPC477527 |
Remote Similarity | 0.6212 | NPC474745 |
Remote Similarity | 0.6211 | NPC472923 |
Remote Similarity | 0.6203 | NPC207675 |
Remote Similarity | 0.6203 | NPC212699 |
Remote Similarity | 0.6199 | NPC88403 |
Remote Similarity | 0.6176 | NPC94499 |
Remote Similarity | 0.6173 | NPC329992 |
Remote Similarity | 0.6162 | NPC474325 |
Remote Similarity | 0.6159 | NPC32356 |
Remote Similarity | 0.6154 | NPC97004 |
Remote Similarity | 0.6154 | NPC161155 |
Remote Similarity | 0.6154 | NPC136951 |
Remote Similarity | 0.615 | NPC206061 |
Remote Similarity | 0.6146 | NPC473502 |
Remote Similarity | 0.614 | NPC251036 |
Remote Similarity | 0.6138 | NPC476443 |
Remote Similarity | 0.6138 | NPC133817 |
Remote Similarity | 0.6135 | NPC83019 |
Remote Similarity | 0.6131 | NPC470903 |
Remote Similarity | 0.6131 | NPC470112 |
Remote Similarity | 0.6131 | NPC167763 |
Remote Similarity | 0.6119 | NPC474746 |
Remote Similarity | 0.6119 | NPC475981 |
Remote Similarity | 0.6117 | NPC308709 |
Remote Similarity | 0.6111 | NPC474470 |
Remote Similarity | 0.6111 | NPC237044 |
Remote Similarity | 0.6094 | NPC254700 |
Remote Similarity | 0.6089 | NPC225745 |
Remote Similarity | 0.6087 | NPC204580 |
Remote Similarity | 0.6087 | NPC245974 |
Remote Similarity | 0.6082 | NPC473693 |
Remote Similarity | 0.6082 | NPC471568 |
Remote Similarity | 0.6075 | NPC145178 |
Remote Similarity | 0.6075 | NPC14877 |
Remote Similarity | 0.6075 | NPC475350 |
Remote Similarity | 0.6073 | NPC329640 |
Remote Similarity | 0.6067 | NPC196708 |
Remote Similarity | 0.6067 | NPC180647 |
Remote Similarity | 0.6066 | NPC247298 |
Remote Similarity | 0.6061 | NPC304675 |
Remote Similarity | 0.6061 | NPC221877 |
Remote Similarity | 0.6061 | NPC475421 |
Remote Similarity | 0.6057 | NPC241354 |
Remote Similarity | 0.6047 | NPC474847 |
Remote Similarity | 0.6041 | NPC129578 |
Remote Similarity | 0.604 | NPC475566 |
Remote Similarity | 0.6039 | NPC33256 |
Remote Similarity | 0.6034 | NPC303217 |
Remote Similarity | 0.6033 | NPC160378 |
Remote Similarity | 0.6033 | NPC97282 |
Remote Similarity | 0.6032 | NPC140915 |
Remote Similarity | 0.6032 | NPC18249 |
Remote Similarity | 0.6032 | NPC187028 |
Remote Similarity | 0.6032 | NPC305700 |
Remote Similarity | 0.6032 | NPC197741 |
Remote Similarity | 0.6032 | NPC10221 |
Remote Similarity | 0.6031 | NPC186617 |
Remote Similarity | 0.6024 | NPC51345 |
Remote Similarity | 0.6022 | NPC83289 |
Remote Similarity | 0.6022 | NPC212850 |
Remote Similarity | 0.6022 | NPC251439 |
Remote Similarity | 0.6022 | NPC189724 |
Remote Similarity | 0.6012 | NPC320242 |
Remote Similarity | 0.6012 | NPC136112 |
Remote Similarity | 0.6012 | NPC95977 |
Remote Similarity | 0.6012 | NPC141739 |
Remote Similarity | 0.6011 | NPC253481 |
Remote Similarity | 0.6011 | NPC253722 |
Remote Similarity | 0.6011 | NPC31751 |
Remote Similarity | 0.6 | NPC226801 |
Remote Similarity | 0.6 | NPC293347 |
Remote Similarity | 0.6 | NPC247221 |
Remote Similarity | 0.6 | NPC150670 |
Remote Similarity | 0.6 | NPC194359 |
Remote Similarity | 0.6 | NPC28641 |
Remote Similarity | 0.599 | NPC163635 |
Remote Similarity | 0.599 | NPC474708 |
Remote Similarity | 0.5989 | NPC313663 |
Remote Similarity | 0.598 | NPC162694 |
Remote Similarity | 0.5979 | NPC475890 |
Remote Similarity | 0.5979 | NPC218614 |
Remote Similarity | 0.5979 | NPC471073 |
Remote Similarity | 0.5979 | NPC270811 |
Remote Similarity | 0.5978 | NPC68779 |
Remote Similarity | 0.5978 | NPC4982 |
Remote Similarity | 0.5978 | NPC5310 |
Remote Similarity | 0.5978 | NPC176814 |
Remote Similarity | 0.5978 | NPC300776 |
Remote Similarity | 0.5977 | NPC474476 |
Remote Similarity | 0.5972 | NPC201055 |
Remote Similarity | 0.5972 | NPC64576 |
Remote Similarity | 0.5972 | NPC254045 |
Remote Similarity | 0.5972 | NPC151470 |
Remote Similarity | 0.5971 | NPC319549 |
Remote Similarity | 0.597 | NPC32154 |
Remote Similarity | 0.5969 | NPC252960 |
Remote Similarity | 0.5969 | NPC160882 |
Remote Similarity | 0.5962 | NPC169605 |
Remote Similarity | 0.5959 | NPC26353 |
Remote Similarity | 0.5957 | NPC22137 |
Remote Similarity | 0.5956 | NPC166137 |
Remote Similarity | 0.5956 | NPC282291 |
Remote Similarity | 0.5955 | NPC105541 |
Remote Similarity | 0.5955 | NPC132308 |
Remote Similarity | 0.5955 | NPC169766 |
Remote Similarity | 0.5951 | NPC141440 |
Remote Similarity | 0.5951 | NPC64140 |
Remote Similarity | 0.5951 | NPC174122 |
Remote Similarity | 0.595 | NPC241704 |
Remote Similarity | 0.5944 | NPC106606 |
Remote Similarity | 0.5943 | NPC286135 |
Remote Similarity | 0.5941 | NPC321133 |
Remote Similarity | 0.5939 | NPC475686 |
Remote Similarity | 0.5939 | NPC58766 |
Remote Similarity | 0.5939 | NPC475845 |
Remote Similarity | 0.5939 | NPC137627 |
Remote Similarity | 0.5939 | NPC130921 |
Remote Similarity | 0.5934 | NPC107571 |
Remote Similarity | 0.5933 | NPC66909 |
Remote Similarity | 0.5932 | NPC45191 |
Remote Similarity | 0.593 | NPC2314 |
Remote Similarity | 0.5928 | NPC313375 |
Remote Similarity | 0.5928 | NPC314725 |
Remote Similarity | 0.5926 | NPC259576 |
Remote Similarity | 0.5926 | NPC221091 |
Remote Similarity | 0.5924 | NPC65833 |
Remote Similarity | 0.5924 | NPC178466 |
Remote Similarity | 0.5924 | NPC184053 |
Remote Similarity | 0.5924 | NPC245219 |
Remote Similarity | 0.5924 | NPC63628 |
Remote Similarity | 0.5924 | NPC31081 |
Remote Similarity | 0.5918 | NPC151030 |
Remote Similarity | 0.5918 | NPC269383 |
Remote Similarity | 0.5917 | NPC293424 |
Remote Similarity | 0.5914 | NPC105381 |
Remote Similarity | 0.5914 | NPC223185 |
Remote Similarity | 0.5914 | NPC10302 |
Remote Similarity | 0.5912 | NPC321285 |
Remote Similarity | 0.5912 | NPC215109 |
Remote Similarity | 0.5912 | NPC90431 |
Remote Similarity | 0.5912 | NPC318591 |
Remote Similarity | 0.5912 | NPC231163 |
Remote Similarity | 0.5912 | NPC170604 |
Remote Similarity | 0.5911 | NPC299806 |
Remote Similarity | 0.5909 | NPC26108 |
Remote Similarity | 0.5909 | NPC283079 |
Remote Similarity | 0.5909 | NPC473354 |
Remote Similarity | 0.5909 | NPC474475 |
Remote Similarity | 0.5909 | NPC326407 |
Remote Similarity | 0.5909 | NPC317725 |
Remote Similarity | 0.5907 | NPC258128 |
Remote Similarity | 0.5907 | NPC478055 |
Remote Similarity | 0.5905 | NPC46744 |
Remote Similarity | 0.5905 | NPC215098 |
Remote Similarity | 0.5905 | NPC70290 |
Remote Similarity | 0.5905 | NPC124302 |
Molecular Weight   | 484.16 |
ALogP   | -2.4156 |
MLogP   | 3.55 |
XLogP   | 5.128 |
HDA   | 3 |
HBD   | 1 |
Rotatable Bonds   | 11 |
TPSA   | 112.24 |
RO5 Violation   | 1 |