Drug ID:   | NPD2500 |
Drug Name:   | Chlophedianol |
Molecular Formula:   | C17H20ClNO |
Canonical SMILES:   | CN(CCC(c1ccccc1Cl)(c1ccccc1)O)C |
Standard InCHI:   | InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3 |
Standard InCHIKey:   | WRCHFMBCVFFYEQ-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; 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 | 0.7895 | NPC292758 |
Intermediate Similarity | 0.7895 | NPC65855 |
Intermediate Similarity | 0.7769 | NPC316906 |
Intermediate Similarity | 0.75 | NPC228400 |
Intermediate Similarity | 0.75 | NPC214200 |
Intermediate Similarity | 0.7282 | NPC133050 |
Intermediate Similarity | 0.7238 | NPC95429 |
Intermediate Similarity | 0.7232 | NPC33168 |
Intermediate Similarity | 0.7217 | NPC471310 |
Intermediate Similarity | 0.7203 | NPC146096 |
Intermediate Similarity | 0.72 | NPC321133 |
Intermediate Similarity | 0.7193 | NPC289381 |
Intermediate Similarity | 0.7193 | NPC155847 |
Intermediate Similarity | 0.7193 | NPC316797 |
Intermediate Similarity | 0.717 | NPC474354 |
Intermediate Similarity | 0.713 | NPC327226 |
Intermediate Similarity | 0.7103 | NPC474211 |
Intermediate Similarity | 0.7094 | NPC211551 |
Intermediate Similarity | 0.7094 | NPC474559 |
Intermediate Similarity | 0.7075 | NPC168855 |
Intermediate Similarity | 0.7049 | NPC91452 |
Intermediate Similarity | 0.7009 | NPC147000 |
Intermediate Similarity | 0.7009 | NPC150254 |
Intermediate Similarity | 0.7009 | NPC226778 |
Intermediate Similarity | 0.7009 | NPC304761 |
Intermediate Similarity | 0.7 | NPC172128 |
Remote Similarity | 0.6977 | NPC285394 |
Remote Similarity | 0.6935 | NPC244403 |
Remote Similarity | 0.6917 | NPC24101 |
Remote Similarity | 0.6917 | NPC96224 |
Remote Similarity | 0.6916 | NPC304538 |
Remote Similarity | 0.6909 | NPC1793 |
Remote Similarity | 0.6903 | NPC20142 |
Remote Similarity | 0.6903 | NPC215351 |
Remote Similarity | 0.6881 | NPC198747 |
Remote Similarity | 0.687 | NPC164514 |
Remote Similarity | 0.687 | NPC303611 |
Remote Similarity | 0.687 | NPC108606 |
Remote Similarity | 0.687 | NPC290515 |
Remote Similarity | 0.687 | NPC226096 |
Remote Similarity | 0.6857 | NPC328178 |
Remote Similarity | 0.6846 | NPC307020 |
Remote Similarity | 0.6842 | NPC26244 |
Remote Similarity | 0.6822 | NPC109151 |
Remote Similarity | 0.6803 | NPC474149 |
Remote Similarity | 0.6789 | NPC203076 |
Remote Similarity | 0.6783 | NPC473388 |
Remote Similarity | 0.6777 | NPC153690 |
Remote Similarity | 0.6757 | NPC199567 |
Remote Similarity | 0.6754 | NPC76938 |
Remote Similarity | 0.6754 | NPC151715 |
Remote Similarity | 0.675 | NPC231705 |
Remote Similarity | 0.6744 | NPC316896 |
Remote Similarity | 0.6729 | NPC87299 |
Remote Similarity | 0.6729 | NPC475199 |
Remote Similarity | 0.6729 | NPC329319 |
Remote Similarity | 0.6729 | NPC99394 |
Remote Similarity | 0.6729 | NPC103326 |
Remote Similarity | 0.6729 | NPC283012 |
Remote Similarity | 0.6724 | NPC225464 |
Remote Similarity | 0.6721 | NPC258056 |
Remote Similarity | 0.672 | NPC471318 |
Remote Similarity | 0.6699 | NPC189371 |
Remote Similarity | 0.6697 | NPC99482 |
Remote Similarity | 0.6696 | NPC32714 |
Remote Similarity | 0.6695 | NPC51015 |
Remote Similarity | 0.6694 | NPC142297 |
Remote Similarity | 0.6691 | NPC313663 |
Remote Similarity | 0.6667 | NPC12429 |
Remote Similarity | 0.6667 | NPC89769 |
Remote Similarity | 0.6667 | NPC271440 |
Remote Similarity | 0.6667 | NPC126859 |
Remote Similarity | 0.6667 | NPC172984 |
Remote Similarity | 0.6667 | NPC259665 |
Remote Similarity | 0.6667 | NPC92730 |
Remote Similarity | 0.6642 | NPC66177 |
Remote Similarity | 0.6642 | NPC17374 |
Remote Similarity | 0.6642 | NPC8305 |
Remote Similarity | 0.6642 | NPC268763 |
Remote Similarity | 0.6639 | NPC178902 |
Remote Similarity | 0.6639 | NPC19856 |
Remote Similarity | 0.6638 | NPC82664 |
Remote Similarity | 0.6638 | NPC216520 |
Remote Similarity | 0.6638 | NPC292730 |
Remote Similarity | 0.6638 | NPC132271 |
Remote Similarity | 0.6636 | NPC93843 |
Remote Similarity | 0.6636 | NPC117180 |
Remote Similarity | 0.6615 | NPC273830 |
Remote Similarity | 0.6614 | NPC82963 |
Remote Similarity | 0.6609 | NPC58674 |
Remote Similarity | 0.6607 | NPC470877 |
Remote Similarity | 0.6594 | NPC475318 |
Remote Similarity | 0.6594 | NPC79465 |
Remote Similarity | 0.6594 | NPC49577 |
Remote Similarity | 0.6594 | NPC9687 |
Remote Similarity | 0.6594 | NPC476102 |
Remote Similarity | 0.6594 | NPC151706 |
Remote Similarity | 0.6594 | NPC474787 |
Remote Similarity | 0.6594 | NPC273907 |
Remote Similarity | 0.6594 | NPC90194 |
Remote Similarity | 0.6594 | NPC474811 |
Remote Similarity | 0.6594 | NPC293377 |
Remote Similarity | 0.6594 | NPC475598 |
Remote Similarity | 0.6594 | NPC76785 |
Remote Similarity | 0.6594 | NPC260045 |
Remote Similarity | 0.6594 | NPC118099 |
Remote Similarity | 0.6594 | NPC474855 |
Remote Similarity | 0.6591 | NPC255253 |
Remote Similarity | 0.6589 | NPC43275 |
Remote Similarity | 0.6579 | NPC45040 |
Remote Similarity | 0.6579 | NPC128645 |
Remote Similarity | 0.6579 | NPC265521 |
Remote Similarity | 0.6577 | NPC211237 |
Remote Similarity | 0.6569 | NPC3202 |
Remote Similarity | 0.6565 | NPC42644 |
Remote Similarity | 0.6562 | NPC38458 |
Remote Similarity | 0.6562 | NPC311737 |
Remote Similarity | 0.6555 | NPC318154 |
Remote Similarity | 0.6552 | NPC21959 |
Remote Similarity | 0.6549 | NPC280347 |
Remote Similarity | 0.6549 | NPC471307 |
Remote Similarity | 0.6549 | NPC177420 |
Remote Similarity | 0.6549 | NPC74936 |
Remote Similarity | 0.6549 | NPC209764 |
Remote Similarity | 0.6549 | NPC318325 |
Remote Similarity | 0.6549 | NPC159178 |
Remote Similarity | 0.6549 | NPC141139 |
Remote Similarity | 0.6549 | NPC242240 |
Remote Similarity | 0.6549 | NPC78041 |
Remote Similarity | 0.6549 | NPC121872 |
Remote Similarity | 0.6549 | NPC123273 |
Remote Similarity | 0.6545 | NPC3210 |
Remote Similarity | 0.6542 | NPC164449 |
Remote Similarity | 0.6542 | NPC184030 |
Remote Similarity | 0.6532 | NPC313981 |
Remote Similarity | 0.6529 | NPC138942 |
Remote Similarity | 0.6525 | NPC132078 |
Remote Similarity | 0.6525 | NPC125732 |
Remote Similarity | 0.6525 | NPC216468 |
Remote Similarity | 0.6525 | NPC51333 |
Remote Similarity | 0.6525 | NPC78119 |
Remote Similarity | 0.6522 | NPC94139 |
Remote Similarity | 0.6522 | NPC210497 |
Remote Similarity | 0.6522 | NPC3358 |
Remote Similarity | 0.6522 | NPC306884 |
Remote Similarity | 0.6522 | NPC162314 |
Remote Similarity | 0.6522 | NPC147284 |
Remote Similarity | 0.65 | NPC68055 |
Remote Similarity | 0.65 | NPC168829 |
Remote Similarity | 0.6496 | NPC311242 |
Remote Similarity | 0.6493 | NPC65310 |
Remote Similarity | 0.6491 | NPC55561 |
Remote Similarity | 0.6491 | NPC192 |
Remote Similarity | 0.6491 | NPC79917 |
Remote Similarity | 0.6475 | NPC271274 |
Remote Similarity | 0.6471 | NPC294741 |
Remote Similarity | 0.6471 | NPC469457 |
Remote Similarity | 0.6471 | NPC213730 |
Remote Similarity | 0.6471 | NPC124802 |
Remote Similarity | 0.6466 | NPC128062 |
Remote Similarity | 0.6466 | NPC152415 |
Remote Similarity | 0.6466 | NPC316301 |
Remote Similarity | 0.6466 | NPC289769 |
Remote Similarity | 0.6466 | NPC27323 |
Remote Similarity | 0.6462 | NPC268572 |
Remote Similarity | 0.646 | NPC25493 |
Remote Similarity | 0.646 | NPC113460 |
Remote Similarity | 0.6457 | NPC118202 |
Remote Similarity | 0.6446 | NPC288411 |
Remote Similarity | 0.6446 | NPC324786 |
Remote Similarity | 0.6446 | NPC323810 |
Remote Similarity | 0.6444 | NPC8058 |
Remote Similarity | 0.6444 | NPC218323 |
Remote Similarity | 0.6435 | NPC306074 |
Remote Similarity | 0.6435 | NPC304541 |
Remote Similarity | 0.6434 | NPC283468 |
Remote Similarity | 0.6429 | NPC473031 |
Remote Similarity | 0.6423 | NPC27252 |
Remote Similarity | 0.6423 | NPC472980 |
Remote Similarity | 0.6423 | NPC472979 |
Remote Similarity | 0.6422 | NPC121478 |
Remote Similarity | 0.6422 | NPC14326 |
Remote Similarity | 0.6422 | NPC73637 |
Remote Similarity | 0.6417 | NPC7686 |
Remote Similarity | 0.6417 | NPC91461 |
Remote Similarity | 0.6417 | NPC40258 |
Remote Similarity | 0.6415 | NPC66655 |
Remote Similarity | 0.6412 | NPC326232 |
Remote Similarity | 0.641 | NPC274678 |
Remote Similarity | 0.641 | NPC3371 |
Remote Similarity | 0.6406 | NPC213 |
Remote Similarity | 0.6406 | NPC10286 |
Remote Similarity | 0.6406 | NPC317254 |
Remote Similarity | 0.6404 | NPC258219 |
Remote Similarity | 0.6403 | NPC132847 |
Remote Similarity | 0.6393 | NPC154899 |
Remote Similarity | 0.6393 | NPC243601 |
Remote Similarity | 0.6393 | NPC233396 |
Remote Similarity | 0.6393 | NPC219286 |
Remote Similarity | 0.6393 | NPC99557 |
TTD   | DAP001080 |
DrugBank   | DB04837 |
ChEMBL   | CHEMBL1201313 |
IUPHAR/BPS   | 7324 |
PharmaGKB   | PA164748134 |
KEGG Drug   | |
PubChem CID   | 2795 |
ChEBI   | 135207 |
CAS Number   | 791-35-5 |
Molecular Weight   | 289.12 |
ALogP   | -0.0595 |
MLogP   | 3 |
XLogP   | 5.233 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 9 |
TPSA   | 23.47 |
RO5 Violation   | 1 |