Drug ID:   | NPD828 |
Drug Name:   | Tulobuterol |
Molecular Formula:   | C12H18ClNO |
Canonical SMILES:   | OC(c1ccccc1Cl)CNC(C)(C)C |
Standard InCHI:   | InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3 |
Standard InCHIKey:   | YREYLAVBNPACJM-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 |
---|---|---|
High Similarity | 0.8636 | NPC304761 |
High Similarity | 0.8636 | NPC226778 |
High Similarity | 0.8636 | NPC150254 |
High Similarity | 0.8636 | NPC147000 |
High Similarity | 0.8624 | NPC327226 |
Intermediate Similarity | 0.8198 | NPC214200 |
Intermediate Similarity | 0.8198 | NPC228400 |
Intermediate Similarity | 0.8182 | NPC164514 |
Intermediate Similarity | 0.8182 | NPC303611 |
Intermediate Similarity | 0.8182 | NPC108606 |
Intermediate Similarity | 0.8182 | NPC226096 |
Intermediate Similarity | 0.8182 | NPC290515 |
Intermediate Similarity | 0.8073 | NPC215351 |
Intermediate Similarity | 0.8073 | NPC20142 |
Intermediate Similarity | 0.7705 | NPC10286 |
Intermediate Similarity | 0.7705 | NPC213 |
Intermediate Similarity | 0.7647 | NPC24777 |
Intermediate Similarity | 0.7581 | NPC137096 |
Intermediate Similarity | 0.7405 | NPC322366 |
Intermediate Similarity | 0.7355 | NPC65855 |
Intermediate Similarity | 0.7355 | NPC292758 |
Intermediate Similarity | 0.728 | NPC101139 |
Intermediate Similarity | 0.7213 | NPC290566 |
Intermediate Similarity | 0.7213 | NPC145638 |
Intermediate Similarity | 0.7025 | NPC211551 |
Intermediate Similarity | 0.7015 | NPC323775 |
Intermediate Similarity | 0.7015 | NPC236347 |
Intermediate Similarity | 0.7 | NPC304538 |
Intermediate Similarity | 0.7 | NPC326232 |
Remote Similarity | 0.6992 | NPC474479 |
Remote Similarity | 0.6972 | NPC103326 |
Remote Similarity | 0.6972 | NPC99394 |
Remote Similarity | 0.6972 | NPC329319 |
Remote Similarity | 0.6972 | NPC87299 |
Remote Similarity | 0.6917 | NPC307020 |
Remote Similarity | 0.6891 | NPC125732 |
Remote Similarity | 0.6884 | NPC208757 |
Remote Similarity | 0.6881 | NPC117180 |
Remote Similarity | 0.686 | NPC68055 |
Remote Similarity | 0.686 | NPC471310 |
Remote Similarity | 0.6833 | NPC289381 |
Remote Similarity | 0.6833 | NPC155847 |
Remote Similarity | 0.6815 | NPC141739 |
Remote Similarity | 0.6815 | NPC320242 |
Remote Similarity | 0.6815 | NPC136112 |
Remote Similarity | 0.6814 | NPC211237 |
Remote Similarity | 0.6812 | NPC48909 |
Remote Similarity | 0.681 | NPC265521 |
Remote Similarity | 0.6797 | NPC113099 |
Remote Similarity | 0.6748 | NPC67043 |
Remote Similarity | 0.6719 | NPC1986 |
Remote Similarity | 0.6719 | NPC474544 |
Remote Similarity | 0.6718 | NPC85276 |
Remote Similarity | 0.6715 | NPC469666 |
Remote Similarity | 0.6695 | NPC58674 |
Remote Similarity | 0.6694 | NPC316797 |
Remote Similarity | 0.6693 | NPC269340 |
Remote Similarity | 0.6667 | NPC283760 |
Remote Similarity | 0.6643 | NPC247018 |
Remote Similarity | 0.6643 | NPC97870 |
Remote Similarity | 0.6643 | NPC307123 |
Remote Similarity | 0.6621 | NPC204546 |
Remote Similarity | 0.6617 | NPC118522 |
Remote Similarity | 0.6617 | NPC169207 |
Remote Similarity | 0.6617 | NPC115627 |
Remote Similarity | 0.6614 | NPC313981 |
Remote Similarity | 0.6607 | NPC172984 |
Remote Similarity | 0.6594 | NPC40488 |
Remote Similarity | 0.6594 | NPC17374 |
Remote Similarity | 0.6573 | NPC316906 |
Remote Similarity | 0.6552 | NPC1793 |
Remote Similarity | 0.6552 | NPC168861 |
Remote Similarity | 0.6544 | NPC285394 |
Remote Similarity | 0.6532 | NPC88267 |
Remote Similarity | 0.6532 | NPC194390 |
Remote Similarity | 0.6532 | NPC224610 |
Remote Similarity | 0.6532 | NPC113326 |
Remote Similarity | 0.6522 | NPC198747 |
Remote Similarity | 0.6514 | NPC66655 |
Remote Similarity | 0.6462 | NPC26524 |
Remote Similarity | 0.6457 | NPC97811 |
Remote Similarity | 0.6452 | NPC178902 |
Remote Similarity | 0.6449 | NPC65310 |
Remote Similarity | 0.6444 | NPC273830 |
Remote Similarity | 0.6439 | NPC188867 |
Remote Similarity | 0.6439 | NPC2265 |
Remote Similarity | 0.6439 | NPC281686 |
Remote Similarity | 0.6439 | NPC106551 |
Remote Similarity | 0.6435 | NPC93843 |
Remote Similarity | 0.6434 | NPC151706 |
Remote Similarity | 0.6434 | NPC474811 |
Remote Similarity | 0.6434 | NPC79465 |
Remote Similarity | 0.6434 | NPC90194 |
Remote Similarity | 0.6434 | NPC474787 |
Remote Similarity | 0.6434 | NPC293377 |
Remote Similarity | 0.6434 | NPC475318 |
Remote Similarity | 0.6434 | NPC9687 |
Remote Similarity | 0.6434 | NPC476102 |
Remote Similarity | 0.6434 | NPC49577 |
Remote Similarity | 0.6434 | NPC260045 |
Remote Similarity | 0.6434 | NPC76785 |
Remote Similarity | 0.6434 | NPC273907 |
Remote Similarity | 0.6434 | NPC474855 |
Remote Similarity | 0.6434 | NPC475598 |
Remote Similarity | 0.6434 | NPC118099 |
Remote Similarity | 0.6429 | NPC231705 |
Remote Similarity | 0.6429 | NPC133050 |
Remote Similarity | 0.6423 | NPC29601 |
Remote Similarity | 0.6422 | NPC139658 |
Remote Similarity | 0.6414 | NPC214988 |
Remote Similarity | 0.6412 | NPC118202 |
Remote Similarity | 0.6412 | NPC471318 |
Remote Similarity | 0.6406 | NPC258056 |
Remote Similarity | 0.6397 | NPC474862 |
Remote Similarity | 0.6385 | NPC146422 |
Remote Similarity | 0.6378 | NPC142297 |
Remote Similarity | 0.6378 | NPC186469 |
Remote Similarity | 0.6377 | NPC477248 |
Remote Similarity | 0.6377 | NPC477249 |
Remote Similarity | 0.6372 | NPC283012 |
Remote Similarity | 0.6372 | NPC475199 |
Remote Similarity | 0.6364 | NPC317254 |
Remote Similarity | 0.6357 | NPC474149 |
Remote Similarity | 0.6349 | NPC42383 |
Remote Similarity | 0.6348 | NPC474354 |
Remote Similarity | 0.6343 | NPC314992 |
Remote Similarity | 0.6333 | NPC325292 |
Remote Similarity | 0.6333 | NPC138117 |
Remote Similarity | 0.6331 | NPC318965 |
Remote Similarity | 0.6328 | NPC146096 |
Remote Similarity | 0.6325 | NPC12429 |
Remote Similarity | 0.6316 | NPC146703 |
Remote Similarity | 0.6311 | NPC33168 |
Remote Similarity | 0.6311 | NPC122493 |
Remote Similarity | 0.6311 | NPC293628 |
Remote Similarity | 0.6311 | NPC10781 |
Remote Similarity | 0.6308 | NPC21890 |
Remote Similarity | 0.6304 | NPC328267 |
Remote Similarity | 0.6303 | NPC79917 |
Remote Similarity | 0.6301 | NPC231163 |
Remote Similarity | 0.6301 | NPC318591 |
Remote Similarity | 0.6299 | NPC327481 |
Remote Similarity | 0.6296 | NPC239697 |
Remote Similarity | 0.6294 | NPC149379 |
Remote Similarity | 0.6293 | NPC474211 |
Remote Similarity | 0.6281 | NPC303045 |
Remote Similarity | 0.6281 | NPC161972 |
Remote Similarity | 0.6276 | NPC478140 |
Remote Similarity | 0.6271 | NPC470877 |
Remote Similarity | 0.6261 | NPC168855 |
Remote Similarity | 0.626 | NPC474073 |
Remote Similarity | 0.6259 | NPC62101 |
Remote Similarity | 0.6259 | NPC95733 |
Remote Similarity | 0.625 | NPC474473 |
Remote Similarity | 0.625 | NPC267237 |
Remote Similarity | 0.625 | NPC190663 |
Remote Similarity | 0.625 | NPC209463 |
Remote Similarity | 0.6241 | NPC311753 |
Remote Similarity | 0.624 | NPC318154 |
Remote Similarity | 0.6239 | NPC108218 |
Remote Similarity | 0.6232 | NPC298486 |
Remote Similarity | 0.623 | NPC313650 |
Remote Similarity | 0.623 | NPC3371 |
Remote Similarity | 0.623 | NPC25565 |
Remote Similarity | 0.6224 | NPC329595 |
Remote Similarity | 0.6224 | NPC476689 |
Remote Similarity | 0.6224 | NPC326599 |
Remote Similarity | 0.6224 | NPC476687 |
Remote Similarity | 0.6224 | NPC476685 |
Remote Similarity | 0.6222 | NPC142638 |
Remote Similarity | 0.6222 | NPC317784 |
Remote Similarity | 0.6218 | NPC159178 |
Remote Similarity | 0.6218 | NPC78041 |
Remote Similarity | 0.6218 | NPC471307 |
Remote Similarity | 0.6218 | NPC209764 |
Remote Similarity | 0.6218 | NPC74936 |
Remote Similarity | 0.6218 | NPC121872 |
Remote Similarity | 0.6218 | NPC141139 |
Remote Similarity | 0.6216 | NPC251439 |
Remote Similarity | 0.6216 | NPC57976 |
Remote Similarity | 0.6214 | NPC29477 |
Remote Similarity | 0.6212 | NPC91452 |
Remote Similarity | 0.6212 | NPC59387 |
Remote Similarity | 0.6207 | NPC470441 |
Remote Similarity | 0.6207 | NPC99482 |
Remote Similarity | 0.6204 | NPC56634 |
Remote Similarity | 0.6204 | NPC71684 |
Remote Similarity | 0.6202 | NPC96224 |
Remote Similarity | 0.6202 | NPC153690 |
Remote Similarity | 0.6202 | NPC24101 |
Remote Similarity | 0.6202 | NPC77294 |
Remote Similarity | 0.6195 | NPC192623 |
Remote Similarity | 0.6194 | NPC82963 |
Remote Similarity | 0.6187 | NPC255253 |
Remote Similarity | 0.6181 | NPC33338 |
Remote Similarity | 0.6181 | NPC300020 |
Remote Similarity | 0.6181 | NPC302171 |
Remote Similarity | 0.6179 | NPC324569 |
Remote Similarity | 0.6179 | NPC475439 |
Remote Similarity | 0.6179 | NPC473501 |
Molecular Weight   | 227.11 |
ALogP   | 0.8584 |
MLogP   | 2.45 |
XLogP   | 3.034 |
HDA   | 2 |
HBD   | 2 |
Rotatable Bonds   | 9 |
TPSA   | 32.26 |
RO5 Violation   | 0 |