Drug ID:   | NPD3683 |
Drug Name:   | Cycrimine |
Molecular Formula:   | C19H29NO |
Canonical SMILES:   | OC(c1ccccc1)(C1CCCC1)CCN1CCCCC1 |
Standard InCHI:   | InChI=1S/C19H29NO/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2 |
Standard InCHIKey:   | SWRUZBWLEWHWRI-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 | 0.8491 | NPC65855 |
Intermediate Similarity | 0.8491 | NPC292758 |
Intermediate Similarity | 0.7905 | NPC228400 |
Intermediate Similarity | 0.7905 | NPC214200 |
Intermediate Similarity | 0.7708 | NPC133050 |
Intermediate Similarity | 0.7576 | NPC474354 |
Intermediate Similarity | 0.757 | NPC289381 |
Intermediate Similarity | 0.757 | NPC155847 |
Intermediate Similarity | 0.7542 | NPC321133 |
Intermediate Similarity | 0.75 | NPC474211 |
Intermediate Similarity | 0.75 | NPC327226 |
Intermediate Similarity | 0.7475 | NPC168855 |
Intermediate Similarity | 0.7453 | NPC33168 |
Intermediate Similarity | 0.7438 | NPC285394 |
Intermediate Similarity | 0.7438 | NPC307020 |
Intermediate Similarity | 0.7429 | NPC215351 |
Intermediate Similarity | 0.7429 | NPC20142 |
Intermediate Similarity | 0.7417 | NPC109151 |
Intermediate Similarity | 0.7407 | NPC469457 |
Intermediate Similarity | 0.7364 | NPC147000 |
Intermediate Similarity | 0.7364 | NPC304761 |
Intermediate Similarity | 0.7364 | NPC226778 |
Intermediate Similarity | 0.7364 | NPC150254 |
Intermediate Similarity | 0.7339 | NPC8305 |
Intermediate Similarity | 0.7339 | NPC268763 |
Intermediate Similarity | 0.7339 | NPC66177 |
Intermediate Similarity | 0.7317 | NPC65310 |
Intermediate Similarity | 0.73 | NPC95429 |
Intermediate Similarity | 0.73 | NPC304538 |
Intermediate Similarity | 0.7297 | NPC211551 |
Intermediate Similarity | 0.7282 | NPC1793 |
Intermediate Similarity | 0.7281 | NPC474149 |
Intermediate Similarity | 0.728 | NPC124802 |
Intermediate Similarity | 0.7273 | NPC291027 |
Intermediate Similarity | 0.7273 | NPC84281 |
Intermediate Similarity | 0.7273 | NPC169485 |
Intermediate Similarity | 0.7273 | NPC213126 |
Intermediate Similarity | 0.7273 | NPC317474 |
Intermediate Similarity | 0.7255 | NPC198747 |
Intermediate Similarity | 0.725 | NPC326232 |
Intermediate Similarity | 0.7248 | NPC316797 |
Intermediate Similarity | 0.7245 | NPC328178 |
Intermediate Similarity | 0.7244 | NPC313663 |
Intermediate Similarity | 0.7222 | NPC108606 |
Intermediate Similarity | 0.7222 | NPC89769 |
Intermediate Similarity | 0.7222 | NPC164514 |
Intermediate Similarity | 0.7222 | NPC303611 |
Intermediate Similarity | 0.7222 | NPC290515 |
Intermediate Similarity | 0.7222 | NPC126859 |
Intermediate Similarity | 0.7222 | NPC226096 |
Intermediate Similarity | 0.7222 | NPC259665 |
Intermediate Similarity | 0.7212 | NPC172128 |
Intermediate Similarity | 0.7172 | NPC117180 |
Intermediate Similarity | 0.7157 | NPC93843 |
Intermediate Similarity | 0.7109 | NPC3202 |
Intermediate Similarity | 0.7105 | NPC24101 |
Intermediate Similarity | 0.7105 | NPC96224 |
Intermediate Similarity | 0.71 | NPC99394 |
Intermediate Similarity | 0.71 | NPC329319 |
Intermediate Similarity | 0.71 | NPC87299 |
Intermediate Similarity | 0.71 | NPC103326 |
Intermediate Similarity | 0.7087 | NPC211237 |
Intermediate Similarity | 0.7083 | NPC189371 |
Intermediate Similarity | 0.708 | NPC191215 |
Intermediate Similarity | 0.708 | NPC231705 |
Intermediate Similarity | 0.708 | NPC274089 |
Intermediate Similarity | 0.7075 | NPC265521 |
Intermediate Similarity | 0.7043 | NPC258056 |
Intermediate Similarity | 0.7043 | NPC24777 |
Intermediate Similarity | 0.7037 | NPC21959 |
Intermediate Similarity | 0.703 | NPC477770 |
Intermediate Similarity | 0.703 | NPC172984 |
Intermediate Similarity | 0.7023 | NPC316906 |
Intermediate Similarity | 0.7018 | NPC142297 |
Intermediate Similarity | 0.7 | NPC118099 |
Intermediate Similarity | 0.7 | NPC475598 |
Intermediate Similarity | 0.7 | NPC49577 |
Intermediate Similarity | 0.7 | NPC474855 |
Intermediate Similarity | 0.7 | NPC293377 |
Intermediate Similarity | 0.7 | NPC260045 |
Intermediate Similarity | 0.7 | NPC273907 |
Intermediate Similarity | 0.7 | NPC79465 |
Intermediate Similarity | 0.7 | NPC476102 |
Intermediate Similarity | 0.7 | NPC475318 |
Intermediate Similarity | 0.7 | NPC125732 |
Intermediate Similarity | 0.7 | NPC474811 |
Intermediate Similarity | 0.7 | NPC151706 |
Intermediate Similarity | 0.7 | NPC90194 |
Intermediate Similarity | 0.7 | NPC76785 |
Intermediate Similarity | 0.7 | NPC9687 |
Intermediate Similarity | 0.7 | NPC474787 |
Remote Similarity | 0.6991 | NPC471133 |
Remote Similarity | 0.699 | NPC243166 |
Remote Similarity | 0.699 | NPC203076 |
Remote Similarity | 0.6984 | NPC305717 |
Remote Similarity | 0.6981 | NPC192 |
Remote Similarity | 0.6981 | NPC79917 |
Remote Similarity | 0.6977 | NPC149379 |
Remote Similarity | 0.6972 | NPC292730 |
Remote Similarity | 0.6972 | NPC82664 |
Remote Similarity | 0.6972 | NPC473388 |
Remote Similarity | 0.6972 | NPC132271 |
Remote Similarity | 0.6972 | NPC216520 |
Remote Similarity | 0.6964 | NPC19856 |
Remote Similarity | 0.6964 | NPC178902 |
Remote Similarity | 0.6964 | NPC68055 |
Remote Similarity | 0.6957 | NPC153690 |
Remote Similarity | 0.6952 | NPC199567 |
Remote Similarity | 0.6952 | NPC470877 |
Remote Similarity | 0.6944 | NPC151715 |
Remote Similarity | 0.6944 | NPC76938 |
Remote Similarity | 0.6944 | NPC58674 |
Remote Similarity | 0.6939 | NPC66655 |
Remote Similarity | 0.6931 | NPC14326 |
Remote Similarity | 0.6931 | NPC475199 |
Remote Similarity | 0.6931 | NPC283012 |
Remote Similarity | 0.6923 | NPC132847 |
Remote Similarity | 0.6916 | NPC304541 |
Remote Similarity | 0.6911 | NPC316896 |
Remote Similarity | 0.6903 | NPC315794 |
Remote Similarity | 0.6897 | NPC158854 |
Remote Similarity | 0.6893 | NPC99482 |
Remote Similarity | 0.6893 | NPC3210 |
Remote Similarity | 0.6891 | NPC118202 |
Remote Similarity | 0.6887 | NPC123273 |
Remote Similarity | 0.6887 | NPC177420 |
Remote Similarity | 0.6887 | NPC471307 |
Remote Similarity | 0.6887 | NPC159178 |
Remote Similarity | 0.6887 | NPC209764 |
Remote Similarity | 0.6887 | NPC74936 |
Remote Similarity | 0.6887 | NPC280347 |
Remote Similarity | 0.6887 | NPC141139 |
Remote Similarity | 0.6887 | NPC121872 |
Remote Similarity | 0.6887 | NPC316108 |
Remote Similarity | 0.6887 | NPC258219 |
Remote Similarity | 0.6887 | NPC242240 |
Remote Similarity | 0.6887 | NPC78041 |
Remote Similarity | 0.6887 | NPC318325 |
Remote Similarity | 0.6881 | NPC32714 |
Remote Similarity | 0.6881 | NPC3371 |
Remote Similarity | 0.6881 | NPC26244 |
Remote Similarity | 0.6875 | NPC69496 |
Remote Similarity | 0.6875 | NPC318154 |
Remote Similarity | 0.6875 | NPC51015 |
Remote Similarity | 0.6869 | NPC224544 |
Remote Similarity | 0.6863 | NPC146703 |
Remote Similarity | 0.6852 | NPC210497 |
Remote Similarity | 0.6852 | NPC3358 |
Remote Similarity | 0.6852 | NPC271440 |
Remote Similarity | 0.6852 | NPC162314 |
Remote Similarity | 0.6852 | NPC147284 |
Remote Similarity | 0.6852 | NPC306884 |
Remote Similarity | 0.6852 | NPC94139 |
Remote Similarity | 0.6833 | NPC317254 |
Remote Similarity | 0.6832 | NPC231986 |
Remote Similarity | 0.6825 | NPC477249 |
Remote Similarity | 0.6825 | NPC477248 |
Remote Similarity | 0.6822 | NPC55561 |
Remote Similarity | 0.6807 | NPC474544 |
Remote Similarity | 0.6807 | NPC1986 |
Remote Similarity | 0.6797 | NPC469666 |
Remote Similarity | 0.6792 | NPC113460 |
Remote Similarity | 0.6792 | NPC25493 |
Remote Similarity | 0.6789 | NPC152415 |
Remote Similarity | 0.6789 | NPC289769 |
Remote Similarity | 0.6789 | NPC303045 |
Remote Similarity | 0.6789 | NPC27323 |
Remote Similarity | 0.6789 | NPC161972 |
Remote Similarity | 0.6789 | NPC316301 |
Remote Similarity | 0.6786 | NPC72729 |
Remote Similarity | 0.6777 | NPC82963 |
Remote Similarity | 0.6774 | NPC273830 |
Remote Similarity | 0.6769 | NPC257390 |
Remote Similarity | 0.6762 | NPC305602 |
Remote Similarity | 0.6762 | NPC473031 |
Remote Similarity | 0.6762 | NPC155393 |
Remote Similarity | 0.6762 | NPC17497 |
Remote Similarity | 0.6759 | NPC45040 |
Remote Similarity | 0.6759 | NPC314690 |
Remote Similarity | 0.6759 | NPC306074 |
Remote Similarity | 0.6759 | NPC128645 |
Remote Similarity | 0.6757 | NPC6597 |
Remote Similarity | 0.6757 | NPC225464 |
Remote Similarity | 0.6757 | NPC77492 |
Remote Similarity | 0.6757 | NPC79241 |
Remote Similarity | 0.6754 | NPC323810 |
Remote Similarity | 0.6733 | NPC192623 |
Remote Similarity | 0.6733 | NPC184030 |
Remote Similarity | 0.6733 | NPC164449 |
Remote Similarity | 0.6727 | NPC25565 |
Remote Similarity | 0.6727 | NPC8392 |
Remote Similarity | 0.6724 | NPC472980 |
Remote Similarity | 0.6724 | NPC472979 |
Remote Similarity | 0.6724 | NPC27252 |
Remote Similarity | 0.6721 | NPC311737 |
Remote Similarity | 0.6721 | NPC38458 |
Remote Similarity | 0.672 | NPC26285 |
Remote Similarity | 0.6718 | NPC245836 |
Remote Similarity | 0.6718 | NPC233910 |
Remote Similarity | 0.6716 | NPC153007 |
TTD   | DAP001120 |
DrugBank   | DB00942 |
ChEMBL   | CHEMBL1201227 |
IUPHAR/BPS   | |
PharmaGKB   | PA164749387 |
KEGG Drug   | |
PubChem CID   | 2911 |
ChEBI   | 59692 |
CAS Number   | 77-39-4 |
Molecular Weight   | 287.22 |
ALogP   | -2.2201 |
MLogP   | 3.33 |
XLogP   | 5.391 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 6 |
TPSA   | 23.47 |
RO5 Violation   | 1 |