Drug ID:   | NPD2342 |
Drug Name:   | DuP-654 |
Molecular Formula:   | C17H14O |
Canonical SMILES:   | Oc1c(ccc2c1cccc2)Cc1ccccc1 |
Standard InCHI:   | InChI=1S/C17H14O/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h1-11,18H,12H2 |
Standard InCHIKey:   | CZTSOXCSVFEFIK-UHFFFAOYSA-N |
Max Developmental Stage:   | Discontinued |
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 | 0.9608 | NPC314187 |
High Similarity | 0.95 | NPC238696 |
High Similarity | 0.9429 | NPC715 |
High Similarity | 0.9429 | NPC322239 |
High Similarity | 0.9333 | NPC46940 |
High Similarity | 0.9238 | NPC95716 |
High Similarity | 0.9159 | NPC195922 |
High Similarity | 0.9159 | NPC249270 |
High Similarity | 0.9083 | NPC299180 |
High Similarity | 0.9065 | NPC321589 |
High Similarity | 0.9048 | NPC58865 |
High Similarity | 0.9029 | NPC117115 |
High Similarity | 0.9 | NPC156313 |
High Similarity | 0.8922 | NPC51015 |
High Similarity | 0.8879 | NPC260323 |
High Similarity | 0.8879 | NPC176279 |
High Similarity | 0.8857 | NPC151477 |
High Similarity | 0.8818 | NPC261973 |
High Similarity | 0.8796 | NPC250323 |
High Similarity | 0.8785 | NPC141782 |
High Similarity | 0.8774 | NPC11554 |
High Similarity | 0.8762 | NPC271274 |
High Similarity | 0.875 | NPC176893 |
High Similarity | 0.8727 | NPC469719 |
High Similarity | 0.8704 | NPC151537 |
High Similarity | 0.8654 | NPC168393 |
High Similarity | 0.8654 | NPC168829 |
High Similarity | 0.8654 | NPC233827 |
High Similarity | 0.8649 | NPC92 |
High Similarity | 0.8649 | NPC469663 |
High Similarity | 0.8627 | NPC32674 |
High Similarity | 0.8611 | NPC132720 |
High Similarity | 0.8611 | NPC13482 |
High Similarity | 0.86 | NPC271440 |
High Similarity | 0.8585 | NPC21594 |
High Similarity | 0.8585 | NPC54765 |
High Similarity | 0.8571 | NPC272029 |
High Similarity | 0.8571 | NPC288411 |
High Similarity | 0.8559 | NPC192948 |
High Similarity | 0.8559 | NPC246760 |
High Similarity | 0.8559 | NPC84999 |
High Similarity | 0.8559 | NPC35797 |
High Similarity | 0.8532 | NPC77772 |
High Similarity | 0.8529 | NPC259512 |
High Similarity | 0.8529 | NPC312132 |
High Similarity | 0.8515 | NPC245187 |
High Similarity | 0.8515 | NPC76938 |
High Similarity | 0.8509 | NPC103916 |
Intermediate Similarity | 0.8491 | NPC138942 |
Intermediate Similarity | 0.8482 | NPC477137 |
Intermediate Similarity | 0.8482 | NPC219112 |
Intermediate Similarity | 0.8482 | NPC38893 |
Intermediate Similarity | 0.8482 | NPC471668 |
Intermediate Similarity | 0.8482 | NPC308311 |
Intermediate Similarity | 0.8468 | NPC268160 |
Intermediate Similarity | 0.8448 | NPC71094 |
Intermediate Similarity | 0.8448 | NPC176208 |
Intermediate Similarity | 0.8447 | NPC6597 |
Intermediate Similarity | 0.8447 | NPC79241 |
Intermediate Similarity | 0.844 | NPC296683 |
Intermediate Similarity | 0.8431 | NPC32714 |
Intermediate Similarity | 0.8426 | NPC95344 |
Intermediate Similarity | 0.8411 | NPC67250 |
Intermediate Similarity | 0.8407 | NPC172219 |
Intermediate Similarity | 0.8407 | NPC304510 |
Intermediate Similarity | 0.8407 | NPC477136 |
Intermediate Similarity | 0.8396 | NPC254965 |
Intermediate Similarity | 0.8396 | NPC327811 |
Intermediate Similarity | 0.8393 | NPC147179 |
Intermediate Similarity | 0.8381 | NPC252105 |
Intermediate Similarity | 0.8381 | NPC12221 |
Intermediate Similarity | 0.8378 | NPC317869 |
Intermediate Similarity | 0.8365 | NPC33675 |
Intermediate Similarity | 0.8365 | NPC299762 |
Intermediate Similarity | 0.8364 | NPC322753 |
Intermediate Similarity | 0.8364 | NPC470770 |
Intermediate Similarity | 0.8364 | NPC266937 |
Intermediate Similarity | 0.8333 | NPC471671 |
Intermediate Similarity | 0.8333 | NPC63010 |
Intermediate Similarity | 0.8319 | NPC308828 |
Intermediate Similarity | 0.8317 | NPC231150 |
Intermediate Similarity | 0.8304 | NPC107240 |
Intermediate Similarity | 0.8304 | NPC471534 |
Intermediate Similarity | 0.8288 | NPC471179 |
Intermediate Similarity | 0.8288 | NPC62867 |
Intermediate Similarity | 0.8288 | NPC177962 |
Intermediate Similarity | 0.8288 | NPC302371 |
Intermediate Similarity | 0.8286 | NPC72729 |
Intermediate Similarity | 0.8261 | NPC93071 |
Intermediate Similarity | 0.8261 | NPC151197 |
Intermediate Similarity | 0.8261 | NPC469644 |
Intermediate Similarity | 0.8261 | NPC126002 |
Intermediate Similarity | 0.8257 | NPC262365 |
Intermediate Similarity | 0.8257 | NPC233835 |
Intermediate Similarity | 0.8252 | NPC274678 |
Intermediate Similarity | 0.8246 | NPC25648 |
Intermediate Similarity | 0.8246 | NPC470760 |
Intermediate Similarity | 0.8246 | NPC16030 |
Intermediate Similarity | 0.8218 | NPC192 |
Intermediate Similarity | 0.8214 | NPC117846 |
Intermediate Similarity | 0.8198 | NPC469912 |
Intermediate Similarity | 0.8198 | NPC224527 |
Intermediate Similarity | 0.8182 | NPC202647 |
Intermediate Similarity | 0.8182 | NPC19808 |
Intermediate Similarity | 0.8182 | NPC33728 |
Intermediate Similarity | 0.8182 | NPC215300 |
Intermediate Similarity | 0.8174 | NPC469609 |
Intermediate Similarity | 0.8165 | NPC320439 |
Intermediate Similarity | 0.8158 | NPC115808 |
Intermediate Similarity | 0.8158 | NPC141001 |
Intermediate Similarity | 0.8155 | NPC128062 |
Intermediate Similarity | 0.8155 | NPC289769 |
Intermediate Similarity | 0.8151 | NPC224342 |
Intermediate Similarity | 0.8151 | NPC61685 |
Intermediate Similarity | 0.8148 | NPC47284 |
Intermediate Similarity | 0.8137 | NPC128645 |
Intermediate Similarity | 0.8131 | NPC108497 |
Intermediate Similarity | 0.812 | NPC277798 |
Intermediate Similarity | 0.812 | NPC129176 |
Intermediate Similarity | 0.812 | NPC259703 |
Intermediate Similarity | 0.812 | NPC100108 |
Intermediate Similarity | 0.812 | NPC32322 |
Intermediate Similarity | 0.8113 | NPC225506 |
Intermediate Similarity | 0.8113 | NPC211885 |
Intermediate Similarity | 0.8113 | NPC294741 |
Intermediate Similarity | 0.8113 | NPC174911 |
Intermediate Similarity | 0.8108 | NPC224870 |
Intermediate Similarity | 0.8108 | NPC44732 |
Intermediate Similarity | 0.8099 | NPC53781 |
Intermediate Similarity | 0.8095 | NPC77492 |
Intermediate Similarity | 0.8091 | NPC174981 |
Intermediate Similarity | 0.8077 | NPC222146 |
Intermediate Similarity | 0.8077 | NPC8392 |
Intermediate Similarity | 0.8073 | NPC53740 |
Intermediate Similarity | 0.8058 | NPC147284 |
Intermediate Similarity | 0.8058 | NPC55903 |
Intermediate Similarity | 0.8058 | NPC162314 |
Intermediate Similarity | 0.8058 | NPC210497 |
Intermediate Similarity | 0.8058 | NPC3358 |
Intermediate Similarity | 0.8058 | NPC94139 |
Intermediate Similarity | 0.8058 | NPC306884 |
Intermediate Similarity | 0.8056 | NPC102216 |
Intermediate Similarity | 0.8056 | NPC475225 |
Intermediate Similarity | 0.8056 | NPC323810 |
Intermediate Similarity | 0.8056 | NPC475580 |
Intermediate Similarity | 0.8053 | NPC263753 |
Intermediate Similarity | 0.8051 | NPC249340 |
Intermediate Similarity | 0.8051 | NPC162935 |
Intermediate Similarity | 0.8037 | NPC477685 |
Intermediate Similarity | 0.8036 | NPC225679 |
Intermediate Similarity | 0.8036 | NPC4493 |
Intermediate Similarity | 0.8036 | NPC165770 |
Intermediate Similarity | 0.8036 | NPC476632 |
Intermediate Similarity | 0.8036 | NPC308689 |
Intermediate Similarity | 0.8034 | NPC260832 |
Intermediate Similarity | 0.8034 | NPC135467 |
Intermediate Similarity | 0.8034 | NPC69006 |
Intermediate Similarity | 0.8033 | NPC38017 |
Intermediate Similarity | 0.8033 | NPC48248 |
Intermediate Similarity | 0.802 | NPC27974 |
Intermediate Similarity | 0.802 | NPC19680 |
Intermediate Similarity | 0.8019 | NPC252821 |
Intermediate Similarity | 0.8019 | NPC122005 |
Intermediate Similarity | 0.8017 | NPC154030 |
Intermediate Similarity | 0.8017 | NPC328694 |
Intermediate Similarity | 0.8017 | NPC206 |
Intermediate Similarity | 0.8 | NPC216520 |
Intermediate Similarity | 0.8 | NPC142956 |
Intermediate Similarity | 0.8 | NPC202986 |
Intermediate Similarity | 0.8 | NPC292730 |
Intermediate Similarity | 0.8 | NPC173978 |
Intermediate Similarity | 0.8 | NPC132271 |
Intermediate Similarity | 0.8 | NPC82664 |
Intermediate Similarity | 0.8 | NPC155393 |
Intermediate Similarity | 0.7984 | NPC72669 |
Intermediate Similarity | 0.7984 | NPC474517 |
Intermediate Similarity | 0.7983 | NPC297057 |
Intermediate Similarity | 0.7983 | NPC11250 |
Intermediate Similarity | 0.7982 | NPC99557 |
Intermediate Similarity | 0.7982 | NPC243601 |
Intermediate Similarity | 0.7982 | NPC219286 |
Intermediate Similarity | 0.7981 | NPC152415 |
Intermediate Similarity | 0.7981 | NPC151715 |
Intermediate Similarity | 0.7967 | NPC276238 |
Intermediate Similarity | 0.7966 | NPC241001 |
Intermediate Similarity | 0.7965 | NPC43525 |
Intermediate Similarity | 0.7965 | NPC166995 |
Intermediate Similarity | 0.7965 | NPC228425 |
Intermediate Similarity | 0.7965 | NPC286222 |
Intermediate Similarity | 0.7965 | NPC228988 |
Intermediate Similarity | 0.7963 | NPC235762 |
Intermediate Similarity | 0.7963 | NPC269212 |
Intermediate Similarity | 0.7963 | NPC471228 |
Intermediate Similarity | 0.7961 | NPC306074 |
Intermediate Similarity | 0.7961 | NPC45040 |
Intermediate Similarity | 0.7961 | NPC204210 |
Intermediate Similarity | 0.7949 | NPC121866 |
Intermediate Similarity | 0.7944 | NPC248396 |
Intermediate Similarity | 0.7944 | NPC129373 |
Intermediate Similarity | 0.7944 | NPC48730 |
TTD   | DIB014433 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 234.10 |
ALogP   | -0.0041 |
MLogP   | 3.22 |
XLogP   | 7.297 |
HDA   | 0 |
HBD   | 1 |
Rotatable Bonds   | 3 |
TPSA   | 20.23 |
RO5 Violation   | 1 |