Drug ID:   | NPD9073 |
Drug Name:   | Parachlorophenol |
Molecular Formula:   | C6H5ClO |
Canonical SMILES:   | Oc1ccc(cc1)Cl |
Standard InCHI:   | InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H |
Standard InCHIKey:   | WXNZTHHGJRFXKQ-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | DrugBank |
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 | 1.0 | NPC38459 |
High Similarity | 0.9506 | NPC33756 |
High Similarity | 0.9186 | NPC322888 |
High Similarity | 0.875 | NPC174048 |
High Similarity | 0.8608 | NPC100980 |
Intermediate Similarity | 0.8193 | NPC65517 |
Intermediate Similarity | 0.7907 | NPC204932 |
Intermediate Similarity | 0.7816 | NPC270094 |
Intermediate Similarity | 0.7701 | NPC4154 |
Intermediate Similarity | 0.7683 | NPC215445 |
Intermediate Similarity | 0.7556 | NPC265146 |
Intermediate Similarity | 0.7556 | NPC124436 |
Intermediate Similarity | 0.7556 | NPC319826 |
Intermediate Similarity | 0.7473 | NPC150837 |
Intermediate Similarity | 0.7473 | NPC175313 |
Intermediate Similarity | 0.7473 | NPC286904 |
Intermediate Similarity | 0.7473 | NPC248817 |
Intermediate Similarity | 0.7404 | NPC43411 |
Intermediate Similarity | 0.7391 | NPC197783 |
Intermediate Similarity | 0.7391 | NPC155393 |
Intermediate Similarity | 0.7379 | NPC146096 |
Intermediate Similarity | 0.7356 | NPC322285 |
Intermediate Similarity | 0.7312 | NPC407 |
Intermediate Similarity | 0.7312 | NPC280254 |
Intermediate Similarity | 0.7312 | NPC307235 |
Intermediate Similarity | 0.7312 | NPC184169 |
Intermediate Similarity | 0.7312 | NPC23167 |
Intermediate Similarity | 0.7234 | NPC113460 |
Intermediate Similarity | 0.7234 | NPC157213 |
Intermediate Similarity | 0.7234 | NPC27974 |
Intermediate Similarity | 0.7234 | NPC25493 |
Intermediate Similarity | 0.7234 | NPC104216 |
Intermediate Similarity | 0.7222 | NPC244403 |
Intermediate Similarity | 0.7212 | NPC187958 |
Intermediate Similarity | 0.7204 | NPC252149 |
Intermediate Similarity | 0.7158 | NPC63479 |
Intermediate Similarity | 0.7158 | NPC123273 |
Intermediate Similarity | 0.7158 | NPC258219 |
Intermediate Similarity | 0.7158 | NPC280347 |
Intermediate Similarity | 0.7158 | NPC98772 |
Intermediate Similarity | 0.7158 | NPC318325 |
Intermediate Similarity | 0.7158 | NPC177420 |
Intermediate Similarity | 0.7158 | NPC242240 |
Intermediate Similarity | 0.7083 | NPC312304 |
Intermediate Similarity | 0.7083 | NPC300017 |
Intermediate Similarity | 0.7083 | NPC55561 |
Intermediate Similarity | 0.7083 | NPC192 |
Intermediate Similarity | 0.7083 | NPC288923 |
Intermediate Similarity | 0.7083 | NPC151764 |
Intermediate Similarity | 0.7083 | NPC300478 |
Intermediate Similarity | 0.7083 | NPC47950 |
Intermediate Similarity | 0.7083 | NPC277758 |
Intermediate Similarity | 0.7053 | NPC19680 |
Intermediate Similarity | 0.7037 | NPC91452 |
Intermediate Similarity | 0.701 | NPC45040 |
Intermediate Similarity | 0.701 | NPC304541 |
Intermediate Similarity | 0.701 | NPC231150 |
Intermediate Similarity | 0.701 | NPC306074 |
Intermediate Similarity | 0.701 | NPC155908 |
Intermediate Similarity | 0.701 | NPC270547 |
Intermediate Similarity | 0.701 | NPC204210 |
Intermediate Similarity | 0.7 | NPC124576 |
Remote Similarity | 0.6991 | NPC205213 |
Remote Similarity | 0.6939 | NPC94139 |
Remote Similarity | 0.6939 | NPC147284 |
Remote Similarity | 0.6939 | NPC3358 |
Remote Similarity | 0.6939 | NPC29373 |
Remote Similarity | 0.6939 | NPC210497 |
Remote Similarity | 0.6939 | NPC271440 |
Remote Similarity | 0.6939 | NPC306884 |
Remote Similarity | 0.6939 | NPC138117 |
Remote Similarity | 0.6939 | NPC162314 |
Remote Similarity | 0.6939 | NPC325292 |
Remote Similarity | 0.6939 | NPC181709 |
Remote Similarity | 0.6939 | NPC55903 |
Remote Similarity | 0.693 | NPC42644 |
Remote Similarity | 0.6869 | NPC81010 |
Remote Similarity | 0.6869 | NPC316301 |
Remote Similarity | 0.6869 | NPC27323 |
Remote Similarity | 0.6869 | NPC151715 |
Remote Similarity | 0.6869 | NPC76938 |
Remote Similarity | 0.6869 | NPC16649 |
Remote Similarity | 0.6869 | NPC114325 |
Remote Similarity | 0.6869 | NPC128062 |
Remote Similarity | 0.6869 | NPC32977 |
Remote Similarity | 0.6869 | NPC152415 |
Remote Similarity | 0.6869 | NPC245187 |
Remote Similarity | 0.6804 | NPC70436 |
Remote Similarity | 0.68 | NPC286006 |
Remote Similarity | 0.68 | NPC313650 |
Remote Similarity | 0.68 | NPC274678 |
Remote Similarity | 0.68 | NPC246679 |
Remote Similarity | 0.68 | NPC32714 |
Remote Similarity | 0.68 | NPC26244 |
Remote Similarity | 0.68 | NPC107522 |
Remote Similarity | 0.68 | NPC8392 |
Remote Similarity | 0.68 | NPC257182 |
Remote Similarity | 0.6768 | NPC295295 |
Remote Similarity | 0.6752 | NPC235370 |
Remote Similarity | 0.6733 | NPC202986 |
Remote Similarity | 0.6733 | NPC283711 |
Remote Similarity | 0.6733 | NPC292730 |
Remote Similarity | 0.6733 | NPC216520 |
Remote Similarity | 0.6733 | NPC82664 |
Remote Similarity | 0.6733 | NPC473388 |
Remote Similarity | 0.6733 | NPC259512 |
Remote Similarity | 0.6733 | NPC312132 |
Remote Similarity | 0.6733 | NPC132271 |
Remote Similarity | 0.6726 | NPC204617 |
Remote Similarity | 0.6726 | NPC15350 |
Remote Similarity | 0.67 | NPC289769 |
Remote Similarity | 0.6667 | NPC260000 |
Remote Similarity | 0.6667 | NPC107619 |
Remote Similarity | 0.6667 | NPC474073 |
Remote Similarity | 0.6667 | NPC201967 |
Remote Similarity | 0.6667 | NPC315921 |
Remote Similarity | 0.6667 | NPC156313 |
Remote Similarity | 0.6667 | NPC291789 |
Remote Similarity | 0.6667 | NPC88420 |
Remote Similarity | 0.6667 | NPC225464 |
Remote Similarity | 0.6667 | NPC32674 |
Remote Similarity | 0.6667 | NPC77492 |
Remote Similarity | 0.6667 | NPC6597 |
Remote Similarity | 0.6667 | NPC109955 |
Remote Similarity | 0.6667 | NPC79241 |
Remote Similarity | 0.6667 | NPC475078 |
Remote Similarity | 0.6667 | NPC152097 |
Remote Similarity | 0.6639 | NPC8058 |
Remote Similarity | 0.6634 | NPC222146 |
Remote Similarity | 0.6632 | NPC23837 |
Remote Similarity | 0.6632 | NPC125306 |
Remote Similarity | 0.6609 | NPC67791 |
Remote Similarity | 0.6602 | NPC130193 |
Remote Similarity | 0.6602 | NPC80027 |
Remote Similarity | 0.6602 | NPC131587 |
Remote Similarity | 0.6602 | NPC307039 |
Remote Similarity | 0.6602 | NPC122005 |
Remote Similarity | 0.6602 | NPC299762 |
Remote Similarity | 0.6602 | NPC33675 |
Remote Similarity | 0.6602 | NPC275104 |
Remote Similarity | 0.6602 | NPC78119 |
Remote Similarity | 0.6602 | NPC125732 |
Remote Similarity | 0.6602 | NPC280869 |
Remote Similarity | 0.6602 | NPC171843 |
Remote Similarity | 0.6602 | NPC260775 |
Remote Similarity | 0.6602 | NPC132078 |
Remote Similarity | 0.6602 | NPC314803 |
Remote Similarity | 0.6602 | NPC128723 |
Remote Similarity | 0.6602 | NPC245561 |
Remote Similarity | 0.6602 | NPC92730 |
Remote Similarity | 0.6602 | NPC216468 |
Remote Similarity | 0.6602 | NPC252821 |
Remote Similarity | 0.6602 | NPC51333 |
Remote Similarity | 0.6566 | NPC318429 |
Remote Similarity | 0.6538 | NPC12931 |
Remote Similarity | 0.6538 | NPC129373 |
Remote Similarity | 0.6538 | NPC161571 |
Remote Similarity | 0.6538 | NPC248396 |
Remote Similarity | 0.6538 | NPC248573 |
Remote Similarity | 0.6538 | NPC155847 |
Remote Similarity | 0.6538 | NPC10588 |
Remote Similarity | 0.6538 | NPC289381 |
Remote Similarity | 0.6538 | NPC70677 |
Remote Similarity | 0.6538 | NPC213730 |
Remote Similarity | 0.6538 | NPC29601 |
Remote Similarity | 0.6538 | NPC130103 |
Remote Similarity | 0.6538 | NPC130756 |
Remote Similarity | 0.6538 | NPC48730 |
Remote Similarity | 0.6538 | NPC72729 |
Remote Similarity | 0.6538 | NPC52472 |
Remote Similarity | 0.6538 | NPC253746 |
Remote Similarity | 0.6538 | NPC174911 |
Remote Similarity | 0.6538 | NPC225506 |
Remote Similarity | 0.6538 | NPC166761 |
Remote Similarity | 0.6538 | NPC70201 |
Remote Similarity | 0.6538 | NPC275053 |
Remote Similarity | 0.6538 | NPC294741 |
Remote Similarity | 0.6538 | NPC223393 |
Remote Similarity | 0.6491 | NPC161768 |
Remote Similarity | 0.6484 | NPC66655 |
Remote Similarity | 0.6476 | NPC143659 |
Remote Similarity | 0.6476 | NPC12221 |
Remote Similarity | 0.6476 | NPC472585 |
Remote Similarity | 0.6476 | NPC40258 |
Remote Similarity | 0.6476 | NPC284011 |
Remote Similarity | 0.6476 | NPC101025 |
Remote Similarity | 0.6476 | NPC94343 |
Remote Similarity | 0.6476 | NPC80800 |
Remote Similarity | 0.6476 | NPC100340 |
Remote Similarity | 0.6476 | NPC252105 |
Remote Similarity | 0.6476 | NPC110764 |
Remote Similarity | 0.6476 | NPC471578 |
Remote Similarity | 0.6476 | NPC7686 |
Remote Similarity | 0.6476 | NPC91461 |
Remote Similarity | 0.6476 | NPC72947 |
Remote Similarity | 0.6475 | NPC246991 |
Remote Similarity | 0.6471 | NPC33402 |
Remote Similarity | 0.6471 | NPC144682 |
Remote Similarity | 0.6429 | NPC206876 |
Remote Similarity | 0.6415 | NPC302219 |
TTD   | |
DrugBank   | DB13154 |
ChEMBL   | CHEMBL57053 |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | D00149 |
PubChem CID   | |
ChEBI   | 28078 |
CAS Number   | 106-48-9 |
Molecular Weight   | 128.00 |
ALogP   | 0.284 |
MLogP   | 1.9 |
XLogP   | 1.929 |
HDA   | 0 |
HBD   | 1 |
Rotatable Bonds   | 2 |
TPSA   | 20.23 |
RO5 Violation   | 0 |