Drug ID:   | NPD5133 |
Drug Name:   | |
Molecular Formula:   | C22H27ClO3 |
Canonical SMILES:   | O=C1C=C2C(=CC3C(C2([C@@H]2[C@H]1C2)C)CCC1(C3CC[C@]1(O)C(=O)C)C)Cl |
Standard InCHI:   | InChI=1S/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12?,13-,14?,15?,16+,20?,21?,22+/m1/s1 |
Standard InCHIKey:   | DUSHUSLJJMDGTE-LXMMIWJPSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD |
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 | NPC144258 |
Intermediate Similarity | 0.8409 | NPC193347 |
Intermediate Similarity | 0.8172 | NPC326627 |
Intermediate Similarity | 0.8172 | NPC310010 |
Intermediate Similarity | 0.8085 | NPC129913 |
Intermediate Similarity | 0.8022 | NPC237712 |
Intermediate Similarity | 0.7957 | NPC136548 |
Intermediate Similarity | 0.7917 | NPC233118 |
Intermediate Similarity | 0.7917 | NPC250575 |
Intermediate Similarity | 0.7912 | NPC69279 |
Intermediate Similarity | 0.7912 | NPC83569 |
Intermediate Similarity | 0.7889 | NPC150506 |
Intermediate Similarity | 0.7889 | NPC225515 |
Intermediate Similarity | 0.7872 | NPC320665 |
Intermediate Similarity | 0.7849 | NPC327115 |
Intermediate Similarity | 0.7849 | NPC89077 |
Intermediate Similarity | 0.7826 | NPC161423 |
Intermediate Similarity | 0.7826 | NPC58841 |
Intermediate Similarity | 0.7826 | NPC329043 |
Intermediate Similarity | 0.7826 | NPC473246 |
Intermediate Similarity | 0.7826 | NPC472480 |
Intermediate Similarity | 0.7826 | NPC321187 |
Intermediate Similarity | 0.7826 | NPC227064 |
Intermediate Similarity | 0.7812 | NPC204341 |
Intermediate Similarity | 0.7789 | NPC76879 |
Intermediate Similarity | 0.7778 | NPC108955 |
Intermediate Similarity | 0.7753 | NPC189485 |
Intermediate Similarity | 0.7727 | NPC92080 |
Intermediate Similarity | 0.7717 | NPC472492 |
Intermediate Similarity | 0.7708 | NPC69622 |
Intermediate Similarity | 0.7692 | NPC201912 |
Intermediate Similarity | 0.7692 | NPC477372 |
Intermediate Similarity | 0.7692 | NPC38350 |
Intermediate Similarity | 0.7692 | NPC55869 |
Intermediate Similarity | 0.7684 | NPC44181 |
Intermediate Similarity | 0.7667 | NPC27817 |
Intermediate Similarity | 0.7667 | NPC215843 |
Intermediate Similarity | 0.7634 | NPC82902 |
Intermediate Similarity | 0.7634 | NPC85774 |
Intermediate Similarity | 0.7634 | NPC214043 |
Intermediate Similarity | 0.7629 | NPC19114 |
Intermediate Similarity | 0.7624 | NPC474720 |
Intermediate Similarity | 0.7609 | NPC260956 |
Intermediate Similarity | 0.7609 | NPC320514 |
Intermediate Similarity | 0.7604 | NPC477943 |
Intermediate Similarity | 0.7604 | NPC65615 |
Intermediate Similarity | 0.7604 | NPC68148 |
Intermediate Similarity | 0.7604 | NPC305039 |
Intermediate Similarity | 0.76 | NPC18509 |
Intermediate Similarity | 0.7579 | NPC472482 |
Intermediate Similarity | 0.7579 | NPC472481 |
Intermediate Similarity | 0.7579 | NPC472484 |
Intermediate Similarity | 0.7579 | NPC136948 |
Intermediate Similarity | 0.7576 | NPC171395 |
Intermediate Similarity | 0.7556 | NPC476808 |
Intermediate Similarity | 0.7556 | NPC30321 |
Intermediate Similarity | 0.7553 | NPC474218 |
Intermediate Similarity | 0.7553 | NPC15838 |
Intermediate Similarity | 0.7553 | NPC469948 |
Intermediate Similarity | 0.7553 | NPC29447 |
Intermediate Similarity | 0.7553 | NPC132629 |
Intermediate Similarity | 0.7551 | NPC12722 |
Intermediate Similarity | 0.7551 | NPC66429 |
Intermediate Similarity | 0.7551 | NPC472942 |
Intermediate Similarity | 0.7551 | NPC152897 |
Intermediate Similarity | 0.7527 | NPC53733 |
Intermediate Similarity | 0.7527 | NPC470015 |
Intermediate Similarity | 0.7527 | NPC168188 |
Intermediate Similarity | 0.7527 | NPC477852 |
Intermediate Similarity | 0.7525 | NPC166745 |
Intermediate Similarity | 0.7525 | NPC235464 |
Intermediate Similarity | 0.7525 | NPC147954 |
Intermediate Similarity | 0.75 | NPC147066 |
Intermediate Similarity | 0.75 | NPC471722 |
Intermediate Similarity | 0.75 | NPC155676 |
Intermediate Similarity | 0.75 | NPC472483 |
Intermediate Similarity | 0.75 | NPC121984 |
Intermediate Similarity | 0.7474 | NPC472488 |
Intermediate Similarity | 0.7474 | NPC118648 |
Intermediate Similarity | 0.7474 | NPC472491 |
Intermediate Similarity | 0.7474 | NPC51014 |
Intermediate Similarity | 0.7474 | NPC31564 |
Intermediate Similarity | 0.7474 | NPC472494 |
Intermediate Similarity | 0.7474 | NPC473168 |
Intermediate Similarity | 0.7474 | NPC20688 |
Intermediate Similarity | 0.7474 | NPC472479 |
Intermediate Similarity | 0.7474 | NPC474778 |
Intermediate Similarity | 0.7474 | NPC474732 |
Intermediate Similarity | 0.7474 | NPC474733 |
Intermediate Similarity | 0.7474 | NPC222613 |
Intermediate Similarity | 0.7474 | NPC145879 |
Intermediate Similarity | 0.7474 | NPC469994 |
Intermediate Similarity | 0.7474 | NPC475022 |
Intermediate Similarity | 0.7474 | NPC72133 |
Intermediate Similarity | 0.7473 | NPC477371 |
Intermediate Similarity | 0.7473 | NPC472490 |
Intermediate Similarity | 0.7451 | NPC144956 |
Intermediate Similarity | 0.7449 | NPC168027 |
Intermediate Similarity | 0.7449 | NPC185936 |
Intermediate Similarity | 0.7423 | NPC86319 |
Intermediate Similarity | 0.7423 | NPC474918 |
Intermediate Similarity | 0.7423 | NPC474245 |
Intermediate Similarity | 0.7423 | NPC2983 |
Intermediate Similarity | 0.7423 | NPC262043 |
Intermediate Similarity | 0.7423 | NPC275740 |
Intermediate Similarity | 0.7423 | NPC112454 |
Intermediate Similarity | 0.7419 | NPC103486 |
Intermediate Similarity | 0.7407 | NPC207689 |
Intermediate Similarity | 0.7404 | NPC111323 |
Intermediate Similarity | 0.74 | NPC472932 |
Intermediate Similarity | 0.74 | NPC263347 |
Intermediate Similarity | 0.7396 | NPC58063 |
Intermediate Similarity | 0.7396 | NPC475740 |
Intermediate Similarity | 0.7396 | NPC99909 |
Intermediate Similarity | 0.7396 | NPC472493 |
Intermediate Similarity | 0.7396 | NPC93778 |
Intermediate Similarity | 0.7396 | NPC317590 |
Intermediate Similarity | 0.7391 | NPC476809 |
Intermediate Similarity | 0.7391 | NPC472478 |
Intermediate Similarity | 0.7379 | NPC99411 |
Intermediate Similarity | 0.7374 | NPC134826 |
Intermediate Similarity | 0.7368 | NPC474083 |
Intermediate Similarity | 0.7368 | NPC8518 |
Intermediate Similarity | 0.7368 | NPC33663 |
Intermediate Similarity | 0.7368 | NPC263997 |
Intermediate Similarity | 0.7368 | NPC473038 |
Intermediate Similarity | 0.7368 | NPC94531 |
Intermediate Similarity | 0.7368 | NPC132228 |
Intermediate Similarity | 0.7368 | NPC123319 |
Intermediate Similarity | 0.7368 | NPC311702 |
Intermediate Similarity | 0.7363 | NPC275494 |
Intermediate Similarity | 0.7363 | NPC469996 |
Intermediate Similarity | 0.7363 | NPC471409 |
Intermediate Similarity | 0.7347 | NPC320026 |
Intermediate Similarity | 0.7347 | NPC191684 |
Intermediate Similarity | 0.7347 | NPC171441 |
Intermediate Similarity | 0.734 | NPC105803 |
Intermediate Similarity | 0.734 | NPC310470 |
Intermediate Similarity | 0.734 | NPC477373 |
Intermediate Similarity | 0.7333 | NPC309399 |
Intermediate Similarity | 0.7333 | NPC110725 |
Intermediate Similarity | 0.7333 | NPC235889 |
Intermediate Similarity | 0.7327 | NPC49371 |
Intermediate Similarity | 0.732 | NPC72397 |
Intermediate Similarity | 0.732 | NPC328539 |
Intermediate Similarity | 0.732 | NPC143767 |
Intermediate Similarity | 0.732 | NPC328313 |
Intermediate Similarity | 0.732 | NPC117122 |
Intermediate Similarity | 0.732 | NPC131470 |
Intermediate Similarity | 0.7308 | NPC87351 |
Intermediate Similarity | 0.7303 | NPC255021 |
Intermediate Similarity | 0.73 | NPC111015 |
Intermediate Similarity | 0.73 | NPC196485 |
Intermediate Similarity | 0.73 | NPC245972 |
Intermediate Similarity | 0.7292 | NPC6247 |
Intermediate Similarity | 0.7283 | NPC158846 |
Intermediate Similarity | 0.7283 | NPC274996 |
Intermediate Similarity | 0.7283 | NPC196827 |
Intermediate Similarity | 0.7283 | NPC474113 |
Intermediate Similarity | 0.7283 | NPC192329 |
Intermediate Similarity | 0.7273 | NPC470036 |
Intermediate Similarity | 0.7273 | NPC475806 |
Intermediate Similarity | 0.7273 | NPC5701 |
Intermediate Similarity | 0.7273 | NPC144627 |
Intermediate Similarity | 0.7273 | NPC174167 |
Intermediate Similarity | 0.7264 | NPC181265 |
Intermediate Similarity | 0.7263 | NPC87552 |
Intermediate Similarity | 0.7263 | NPC59453 |
Intermediate Similarity | 0.7263 | NPC221758 |
Intermediate Similarity | 0.7263 | NPC209882 |
Intermediate Similarity | 0.7255 | NPC473161 |
Intermediate Similarity | 0.7253 | NPC266193 |
Intermediate Similarity | 0.7253 | NPC165711 |
Intermediate Similarity | 0.7253 | NPC257666 |
Intermediate Similarity | 0.7245 | NPC472489 |
Intermediate Similarity | 0.7245 | NPC54689 |
Intermediate Similarity | 0.7245 | NPC309603 |
Intermediate Similarity | 0.7245 | NPC26959 |
Intermediate Similarity | 0.7245 | NPC473999 |
Intermediate Similarity | 0.7245 | NPC186688 |
Intermediate Similarity | 0.7245 | NPC1015 |
Intermediate Similarity | 0.7245 | NPC476733 |
Intermediate Similarity | 0.7245 | NPC268406 |
Intermediate Similarity | 0.7245 | NPC472477 |
Intermediate Similarity | 0.7245 | NPC472475 |
Intermediate Similarity | 0.7245 | NPC102414 |
Intermediate Similarity | 0.7245 | NPC84271 |
Intermediate Similarity | 0.7245 | NPC77168 |
Intermediate Similarity | 0.7245 | NPC215029 |
Intermediate Similarity | 0.7245 | NPC31985 |
Intermediate Similarity | 0.7238 | NPC311612 |
Intermediate Similarity | 0.7234 | NPC133391 |
Intermediate Similarity | 0.7234 | NPC151519 |
Intermediate Similarity | 0.7228 | NPC472824 |
Intermediate Similarity | 0.7228 | NPC45324 |
Intermediate Similarity | 0.7228 | NPC259286 |
Intermediate Similarity | 0.7228 | NPC162001 |
Intermediate Similarity | 0.7228 | NPC222845 |
Intermediate Similarity | 0.7228 | NPC280725 |
Intermediate Similarity | 0.7222 | NPC251435 |
Molecular Weight   | 374.16 |
ALogP   | 0.8932 |
MLogP   | 3.44 |
XLogP   | 2.542 |
HDA   | 3 |
HBD   | 1 |
Rotatable Bonds   | 6 |
TPSA   | 54.37 |
RO5 Violation   | 0 |