Drug ID:   | NPD864 |
Drug Name:   | Sotalol Hydrochloride |
Molecular Formula:   | C12H20N2O3S.ClH |
Canonical SMILES:   | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C.Cl |
Standard InCHI:   | InChI=1S/C12H20N2O3S.ClH/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;/h4-7,9,12-15H,8H2,1-3H3;1H |
Standard InCHIKey:   | VIDRYROWYFWGSY-UHFFFAOYSA-N |
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 | 0.7805 | NPC304761 |
Intermediate Similarity | 0.7805 | NPC226778 |
Intermediate Similarity | 0.7805 | NPC150254 |
Intermediate Similarity | 0.7805 | NPC147000 |
Intermediate Similarity | 0.7642 | NPC327226 |
Intermediate Similarity | 0.7419 | NPC214200 |
Intermediate Similarity | 0.7419 | NPC228400 |
Intermediate Similarity | 0.7398 | NPC226096 |
Intermediate Similarity | 0.7398 | NPC108606 |
Intermediate Similarity | 0.7398 | NPC290515 |
Intermediate Similarity | 0.7398 | NPC164514 |
Intermediate Similarity | 0.7398 | NPC303611 |
Intermediate Similarity | 0.7293 | NPC101139 |
Intermediate Similarity | 0.7241 | NPC159589 |
Intermediate Similarity | 0.7154 | NPC20142 |
Intermediate Similarity | 0.7154 | NPC215351 |
Intermediate Similarity | 0.7133 | NPC472103 |
Intermediate Similarity | 0.7086 | NPC470824 |
Intermediate Similarity | 0.7083 | NPC476689 |
Intermediate Similarity | 0.7083 | NPC476685 |
Intermediate Similarity | 0.7083 | NPC476687 |
Intermediate Similarity | 0.7059 | NPC137096 |
Intermediate Similarity | 0.7037 | NPC213 |
Intermediate Similarity | 0.7037 | NPC10286 |
Intermediate Similarity | 0.7034 | NPC208757 |
Intermediate Similarity | 0.7027 | NPC319645 |
Remote Similarity | 0.697 | NPC24777 |
Remote Similarity | 0.6947 | NPC37584 |
Remote Similarity | 0.6901 | NPC325013 |
Remote Similarity | 0.6846 | NPC287358 |
Remote Similarity | 0.6842 | NPC65855 |
Remote Similarity | 0.6842 | NPC292758 |
Remote Similarity | 0.6832 | NPC85651 |
Remote Similarity | 0.6806 | NPC322366 |
Remote Similarity | 0.6786 | NPC326232 |
Remote Similarity | 0.6783 | NPC474479 |
Remote Similarity | 0.6776 | NPC472241 |
Remote Similarity | 0.6759 | NPC197680 |
Remote Similarity | 0.6759 | NPC101372 |
Remote Similarity | 0.6759 | NPC259098 |
Remote Similarity | 0.6712 | NPC226662 |
Remote Similarity | 0.6711 | NPC43477 |
Remote Similarity | 0.6667 | NPC222982 |
Remote Similarity | 0.6667 | NPC150323 |
Remote Similarity | 0.6667 | NPC314098 |
Remote Similarity | 0.6646 | NPC314223 |
Remote Similarity | 0.6645 | NPC472242 |
Remote Similarity | 0.6644 | NPC253476 |
Remote Similarity | 0.6603 | NPC264589 |
Remote Similarity | 0.6594 | NPC470550 |
Remote Similarity | 0.6594 | NPC205652 |
Remote Similarity | 0.6593 | NPC145638 |
Remote Similarity | 0.6593 | NPC290566 |
Remote Similarity | 0.6575 | NPC323775 |
Remote Similarity | 0.6575 | NPC236347 |
Remote Similarity | 0.6552 | NPC205946 |
Remote Similarity | 0.6543 | NPC469428 |
Remote Similarity | 0.6541 | NPC211551 |
Remote Similarity | 0.6536 | NPC242933 |
Remote Similarity | 0.6536 | NPC472243 |
Remote Similarity | 0.6497 | NPC472100 |
Remote Similarity | 0.6483 | NPC307020 |
Remote Similarity | 0.6478 | NPC318086 |
Remote Similarity | 0.6474 | NPC311330 |
Remote Similarity | 0.6467 | NPC470971 |
Remote Similarity | 0.6456 | NPC254798 |
Remote Similarity | 0.645 | NPC34508 |
Remote Similarity | 0.6438 | NPC322283 |
Remote Similarity | 0.6438 | NPC475763 |
Remote Similarity | 0.6419 | NPC469666 |
Remote Similarity | 0.6395 | NPC136112 |
Remote Similarity | 0.6395 | NPC320242 |
Remote Similarity | 0.6395 | NPC141739 |
Remote Similarity | 0.6386 | NPC189116 |
Remote Similarity | 0.6383 | NPC147957 |
Remote Similarity | 0.6364 | NPC283760 |
Remote Similarity | 0.6364 | NPC472102 |
Remote Similarity | 0.6364 | NPC309531 |
Remote Similarity | 0.6358 | NPC247018 |
Remote Similarity | 0.6358 | NPC307123 |
Remote Similarity | 0.6358 | NPC33338 |
Remote Similarity | 0.6358 | NPC302171 |
Remote Similarity | 0.6358 | NPC300020 |
Remote Similarity | 0.6358 | NPC97870 |
Remote Similarity | 0.6327 | NPC474926 |
Remote Similarity | 0.6325 | NPC472121 |
Remote Similarity | 0.6323 | NPC243162 |
Remote Similarity | 0.6316 | NPC184437 |
Remote Similarity | 0.6316 | NPC474473 |
Remote Similarity | 0.631 | NPC472114 |
Remote Similarity | 0.631 | NPC472115 |
Remote Similarity | 0.6303 | NPC37205 |
Remote Similarity | 0.6303 | NPC160931 |
Remote Similarity | 0.6301 | NPC270009 |
Remote Similarity | 0.6296 | NPC67043 |
Remote Similarity | 0.6294 | NPC229353 |
Remote Similarity | 0.6294 | NPC85276 |
Remote Similarity | 0.6291 | NPC313466 |
Remote Similarity | 0.6287 | NPC292143 |
Remote Similarity | 0.6287 | NPC139506 |
Remote Similarity | 0.6287 | NPC313757 |
Remote Similarity | 0.6286 | NPC474544 |
Remote Similarity | 0.6286 | NPC1986 |
Remote Similarity | 0.6284 | NPC322433 |
Remote Similarity | 0.6284 | NPC250476 |
Remote Similarity | 0.6284 | NPC318965 |
Remote Similarity | 0.6282 | NPC168861 |
Remote Similarity | 0.628 | NPC141353 |
Remote Similarity | 0.6275 | NPC173295 |
Remote Similarity | 0.6269 | NPC178681 |
Remote Similarity | 0.6269 | NPC68055 |
Remote Similarity | 0.6259 | NPC269340 |
Remote Similarity | 0.6258 | NPC214988 |
Remote Similarity | 0.6242 | NPC72473 |
Remote Similarity | 0.6242 | NPC204546 |
Remote Similarity | 0.6242 | NPC307437 |
Remote Similarity | 0.6242 | NPC58827 |
Remote Similarity | 0.6241 | NPC29601 |
Remote Similarity | 0.6229 | NPC192270 |
Remote Similarity | 0.6222 | NPC88267 |
Remote Similarity | 0.6222 | NPC194390 |
Remote Similarity | 0.6222 | NPC224610 |
Remote Similarity | 0.6222 | NPC256838 |
Remote Similarity | 0.6222 | NPC113326 |
Remote Similarity | 0.6218 | NPC219233 |
Remote Similarity | 0.6218 | NPC211468 |
Remote Similarity | 0.6218 | NPC170170 |
Remote Similarity | 0.6216 | NPC477248 |
Remote Similarity | 0.6216 | NPC477249 |
Remote Similarity | 0.621 | NPC304538 |
Remote Similarity | 0.6207 | NPC130931 |
Remote Similarity | 0.6207 | NPC115627 |
Remote Similarity | 0.6207 | NPC169207 |
Remote Similarity | 0.6207 | NPC118522 |
Remote Similarity | 0.6205 | NPC36495 |
Remote Similarity | 0.6203 | NPC478040 |
Remote Similarity | 0.6203 | NPC471680 |
Remote Similarity | 0.6202 | NPC265521 |
Remote Similarity | 0.62 | NPC40488 |
Remote Similarity | 0.6199 | NPC158129 |
Remote Similarity | 0.6196 | NPC153769 |
Remote Similarity | 0.6193 | NPC477159 |
Remote Similarity | 0.619 | NPC328683 |
Remote Similarity | 0.619 | NPC283130 |
Remote Similarity | 0.6187 | NPC9336 |
Remote Similarity | 0.6185 | NPC129624 |
Remote Similarity | 0.6185 | NPC473432 |
Remote Similarity | 0.6182 | NPC477157 |
Remote Similarity | 0.6182 | NPC477156 |
Remote Similarity | 0.6179 | NPC103326 |
Remote Similarity | 0.6179 | NPC87299 |
Remote Similarity | 0.6179 | NPC329319 |
Remote Similarity | 0.6179 | NPC99394 |
Remote Similarity | 0.6178 | NPC323123 |
Remote Similarity | 0.6178 | NPC314113 |
Remote Similarity | 0.6169 | NPC475318 |
Remote Similarity | 0.6169 | NPC474787 |
Remote Similarity | 0.6169 | NPC49577 |
Remote Similarity | 0.6169 | NPC293377 |
Remote Similarity | 0.6169 | NPC475598 |
Remote Similarity | 0.6169 | NPC273907 |
Remote Similarity | 0.6169 | NPC76785 |
Remote Similarity | 0.6169 | NPC260045 |
Remote Similarity | 0.6169 | NPC79465 |
Remote Similarity | 0.6169 | NPC151706 |
Remote Similarity | 0.6169 | NPC474811 |
Remote Similarity | 0.6169 | NPC118099 |
Remote Similarity | 0.6169 | NPC474855 |
Remote Similarity | 0.6169 | NPC90194 |
Remote Similarity | 0.6169 | NPC9687 |
Remote Similarity | 0.6169 | NPC476102 |
Remote Similarity | 0.6165 | NPC125732 |
Remote Similarity | 0.6164 | NPC273830 |
Remote Similarity | 0.6159 | NPC472245 |
Remote Similarity | 0.6154 | NPC2265 |
Remote Similarity | 0.6154 | NPC476483 |
Remote Similarity | 0.6149 | NPC285394 |
Remote Similarity | 0.6149 | NPC13470 |
Remote Similarity | 0.6149 | NPC161292 |
Remote Similarity | 0.6148 | NPC311660 |
Remote Similarity | 0.6142 | NPC30445 |
Remote Similarity | 0.6131 | NPC191863 |
Remote Similarity | 0.6131 | NPC289776 |
Remote Similarity | 0.6131 | NPC133470 |
Remote Similarity | 0.6131 | NPC286871 |
Remote Similarity | 0.6131 | NPC176983 |
Remote Similarity | 0.6129 | NPC64205 |
Remote Similarity | 0.6127 | NPC118202 |
Remote Similarity | 0.6119 | NPC289381 |
Remote Similarity | 0.6119 | NPC155847 |
Remote Similarity | 0.6119 | NPC70201 |
Remote Similarity | 0.6118 | NPC278887 |
Remote Similarity | 0.6115 | NPC255721 |
Remote Similarity | 0.6114 | NPC99043 |
Remote Similarity | 0.6114 | NPC218594 |
Remote Similarity | 0.6114 | NPC472443 |
Remote Similarity | 0.6111 | NPC475168 |
Remote Similarity | 0.6111 | NPC7817 |
Remote Similarity | 0.6108 | NPC471122 |
Remote Similarity | 0.6107 | NPC58674 |
Molecular Weight   | 272.12 |
ALogP   | -1.7015 |
MLogP   | 2.12 |
XLogP   | 1.264 |
HDA   | 5 |
HBD   | 3 |
Rotatable Bonds   | 10 |
TPSA   | 86.81 |
RO5 Violation   | 0 |