Drug ID:   | NPD9087 |
Drug Name:   | Phenol |
Molecular Formula:   | C6H6O |
Canonical SMILES:   | Oc1ccccc1 |
Standard InCHI:   | InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H |
Standard InCHIKey:   | ISWSIDIOOBJBQZ-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 |
---|---|---|
High Similarity | 1.0 | NPC100980 |
High Similarity | 0.9444 | NPC65517 |
High Similarity | 0.9067 | NPC204932 |
High Similarity | 0.8947 | NPC270094 |
High Similarity | 0.8873 | NPC215445 |
High Similarity | 0.8816 | NPC4154 |
High Similarity | 0.8608 | NPC124436 |
High Similarity | 0.8608 | NPC265146 |
High Similarity | 0.8608 | NPC33756 |
High Similarity | 0.8608 | NPC319826 |
High Similarity | 0.8608 | NPC38459 |
High Similarity | 0.85 | NPC150837 |
High Similarity | 0.85 | NPC248817 |
High Similarity | 0.85 | NPC175313 |
High Similarity | 0.85 | NPC286904 |
Intermediate Similarity | 0.8421 | NPC322285 |
Intermediate Similarity | 0.8395 | NPC155393 |
Intermediate Similarity | 0.8395 | NPC197783 |
Intermediate Similarity | 0.8293 | NPC280254 |
Intermediate Similarity | 0.8293 | NPC307235 |
Intermediate Similarity | 0.8293 | NPC407 |
Intermediate Similarity | 0.8293 | NPC23167 |
Intermediate Similarity | 0.8293 | NPC184169 |
Intermediate Similarity | 0.8193 | NPC25493 |
Intermediate Similarity | 0.8193 | NPC157213 |
Intermediate Similarity | 0.8193 | NPC27974 |
Intermediate Similarity | 0.8193 | NPC104216 |
Intermediate Similarity | 0.8193 | NPC113460 |
Intermediate Similarity | 0.8171 | NPC252149 |
Intermediate Similarity | 0.8095 | NPC98772 |
Intermediate Similarity | 0.8095 | NPC123273 |
Intermediate Similarity | 0.8095 | NPC318325 |
Intermediate Similarity | 0.8095 | NPC242240 |
Intermediate Similarity | 0.8095 | NPC258219 |
Intermediate Similarity | 0.8095 | NPC177420 |
Intermediate Similarity | 0.8095 | NPC280347 |
Intermediate Similarity | 0.8 | NPC300478 |
Intermediate Similarity | 0.8 | NPC47950 |
Intermediate Similarity | 0.8 | NPC300017 |
Intermediate Similarity | 0.8 | NPC55561 |
Intermediate Similarity | 0.8 | NPC151764 |
Intermediate Similarity | 0.8 | NPC277758 |
Intermediate Similarity | 0.8 | NPC192 |
Intermediate Similarity | 0.8 | NPC312304 |
Intermediate Similarity | 0.8 | NPC288923 |
Intermediate Similarity | 0.7976 | NPC19680 |
Intermediate Similarity | 0.7975 | NPC124576 |
Intermediate Similarity | 0.7907 | NPC155908 |
Intermediate Similarity | 0.7907 | NPC304541 |
Intermediate Similarity | 0.7907 | NPC204210 |
Intermediate Similarity | 0.7907 | NPC306074 |
Intermediate Similarity | 0.7907 | NPC45040 |
Intermediate Similarity | 0.7907 | NPC174048 |
Intermediate Similarity | 0.7907 | NPC231150 |
Intermediate Similarity | 0.7907 | NPC322888 |
Intermediate Similarity | 0.7907 | NPC270547 |
Intermediate Similarity | 0.7816 | NPC147284 |
Intermediate Similarity | 0.7816 | NPC29373 |
Intermediate Similarity | 0.7816 | NPC306884 |
Intermediate Similarity | 0.7816 | NPC162314 |
Intermediate Similarity | 0.7816 | NPC138117 |
Intermediate Similarity | 0.7816 | NPC3358 |
Intermediate Similarity | 0.7816 | NPC55903 |
Intermediate Similarity | 0.7816 | NPC94139 |
Intermediate Similarity | 0.7816 | NPC271440 |
Intermediate Similarity | 0.7816 | NPC325292 |
Intermediate Similarity | 0.7816 | NPC210497 |
Intermediate Similarity | 0.7816 | NPC181709 |
Intermediate Similarity | 0.7727 | NPC81010 |
Intermediate Similarity | 0.7727 | NPC27323 |
Intermediate Similarity | 0.7727 | NPC32977 |
Intermediate Similarity | 0.7727 | NPC16649 |
Intermediate Similarity | 0.7727 | NPC114325 |
Intermediate Similarity | 0.7727 | NPC152415 |
Intermediate Similarity | 0.7727 | NPC245187 |
Intermediate Similarity | 0.7727 | NPC316301 |
Intermediate Similarity | 0.7727 | NPC76938 |
Intermediate Similarity | 0.7727 | NPC151715 |
Intermediate Similarity | 0.7727 | NPC128062 |
Intermediate Similarity | 0.7674 | NPC70436 |
Intermediate Similarity | 0.764 | NPC107522 |
Intermediate Similarity | 0.764 | NPC26244 |
Intermediate Similarity | 0.764 | NPC32714 |
Intermediate Similarity | 0.764 | NPC257182 |
Intermediate Similarity | 0.764 | NPC286006 |
Intermediate Similarity | 0.764 | NPC246679 |
Intermediate Similarity | 0.764 | NPC274678 |
Intermediate Similarity | 0.764 | NPC313650 |
Intermediate Similarity | 0.764 | NPC8392 |
Intermediate Similarity | 0.7614 | NPC295295 |
Intermediate Similarity | 0.7556 | NPC312132 |
Intermediate Similarity | 0.7556 | NPC82664 |
Intermediate Similarity | 0.7556 | NPC259512 |
Intermediate Similarity | 0.7556 | NPC292730 |
Intermediate Similarity | 0.7556 | NPC202986 |
Intermediate Similarity | 0.7556 | NPC216520 |
Intermediate Similarity | 0.7556 | NPC283711 |
Intermediate Similarity | 0.7556 | NPC132271 |
Intermediate Similarity | 0.7556 | NPC473388 |
Intermediate Similarity | 0.7528 | NPC289769 |
Intermediate Similarity | 0.75 | NPC125306 |
Intermediate Similarity | 0.75 | NPC23837 |
Intermediate Similarity | 0.7473 | NPC32674 |
Intermediate Similarity | 0.7473 | NPC225464 |
Intermediate Similarity | 0.7473 | NPC152097 |
Intermediate Similarity | 0.7473 | NPC260000 |
Intermediate Similarity | 0.7473 | NPC79241 |
Intermediate Similarity | 0.7473 | NPC77492 |
Intermediate Similarity | 0.7473 | NPC474073 |
Intermediate Similarity | 0.7473 | NPC107619 |
Intermediate Similarity | 0.7473 | NPC6597 |
Intermediate Similarity | 0.7473 | NPC291789 |
Intermediate Similarity | 0.7473 | NPC156313 |
Intermediate Similarity | 0.7473 | NPC315921 |
Intermediate Similarity | 0.7473 | NPC88420 |
Intermediate Similarity | 0.7473 | NPC475078 |
Intermediate Similarity | 0.7473 | NPC109955 |
Intermediate Similarity | 0.7473 | NPC201967 |
Intermediate Similarity | 0.7444 | NPC222146 |
Intermediate Similarity | 0.7391 | NPC275104 |
Intermediate Similarity | 0.7391 | NPC299762 |
Intermediate Similarity | 0.7391 | NPC80027 |
Intermediate Similarity | 0.7391 | NPC252821 |
Intermediate Similarity | 0.7391 | NPC307039 |
Intermediate Similarity | 0.7391 | NPC132078 |
Intermediate Similarity | 0.7391 | NPC280869 |
Intermediate Similarity | 0.7391 | NPC245561 |
Intermediate Similarity | 0.7391 | NPC260775 |
Intermediate Similarity | 0.7391 | NPC92730 |
Intermediate Similarity | 0.7391 | NPC128723 |
Intermediate Similarity | 0.7391 | NPC131587 |
Intermediate Similarity | 0.7391 | NPC130193 |
Intermediate Similarity | 0.7391 | NPC314803 |
Intermediate Similarity | 0.7391 | NPC216468 |
Intermediate Similarity | 0.7391 | NPC51333 |
Intermediate Similarity | 0.7391 | NPC33675 |
Intermediate Similarity | 0.7391 | NPC122005 |
Intermediate Similarity | 0.7391 | NPC78119 |
Intermediate Similarity | 0.7391 | NPC125732 |
Intermediate Similarity | 0.7391 | NPC171843 |
Intermediate Similarity | 0.7386 | NPC318429 |
Intermediate Similarity | 0.7375 | NPC66655 |
Intermediate Similarity | 0.7312 | NPC70677 |
Intermediate Similarity | 0.7312 | NPC248573 |
Intermediate Similarity | 0.7312 | NPC248396 |
Intermediate Similarity | 0.7312 | NPC155847 |
Intermediate Similarity | 0.7312 | NPC166761 |
Intermediate Similarity | 0.7312 | NPC289381 |
Intermediate Similarity | 0.7312 | NPC70201 |
Intermediate Similarity | 0.7312 | NPC52472 |
Intermediate Similarity | 0.7312 | NPC275053 |
Intermediate Similarity | 0.7312 | NPC174911 |
Intermediate Similarity | 0.7312 | NPC129373 |
Intermediate Similarity | 0.7312 | NPC130103 |
Intermediate Similarity | 0.7312 | NPC12931 |
Intermediate Similarity | 0.7312 | NPC223393 |
Intermediate Similarity | 0.7312 | NPC72729 |
Intermediate Similarity | 0.7312 | NPC161571 |
Intermediate Similarity | 0.7312 | NPC253746 |
Intermediate Similarity | 0.7312 | NPC48730 |
Intermediate Similarity | 0.7312 | NPC225506 |
Intermediate Similarity | 0.7312 | NPC29601 |
Intermediate Similarity | 0.7312 | NPC294741 |
Intermediate Similarity | 0.7312 | NPC130756 |
Intermediate Similarity | 0.7312 | NPC10588 |
Intermediate Similarity | 0.7312 | NPC213730 |
Intermediate Similarity | 0.7253 | NPC144682 |
Intermediate Similarity | 0.7241 | NPC206876 |
Intermediate Similarity | 0.7234 | NPC472585 |
Intermediate Similarity | 0.7234 | NPC143659 |
Intermediate Similarity | 0.7234 | NPC471578 |
Intermediate Similarity | 0.7234 | NPC284011 |
Intermediate Similarity | 0.7234 | NPC72947 |
Intermediate Similarity | 0.7234 | NPC100340 |
Intermediate Similarity | 0.7234 | NPC110764 |
Intermediate Similarity | 0.7234 | NPC91461 |
Intermediate Similarity | 0.7234 | NPC94343 |
Intermediate Similarity | 0.7234 | NPC40258 |
Intermediate Similarity | 0.7234 | NPC252105 |
Intermediate Similarity | 0.7234 | NPC101025 |
Intermediate Similarity | 0.7234 | NPC80800 |
Intermediate Similarity | 0.7234 | NPC12221 |
Intermediate Similarity | 0.7234 | NPC7686 |
Intermediate Similarity | 0.7229 | NPC133050 |
Intermediate Similarity | 0.7229 | NPC117180 |
Intermediate Similarity | 0.7158 | NPC68269 |
Intermediate Similarity | 0.7158 | NPC477802 |
Intermediate Similarity | 0.7158 | NPC135784 |
Intermediate Similarity | 0.7158 | NPC24404 |
Intermediate Similarity | 0.7158 | NPC94351 |
Intermediate Similarity | 0.7158 | NPC108497 |
Intermediate Similarity | 0.7158 | NPC168829 |
Intermediate Similarity | 0.7158 | NPC168303 |
Intermediate Similarity | 0.7158 | NPC196479 |
Intermediate Similarity | 0.7158 | NPC477801 |
Intermediate Similarity | 0.7158 | NPC13426 |
Intermediate Similarity | 0.7158 | NPC71002 |
Intermediate Similarity | 0.7158 | NPC178902 |
Intermediate Similarity | 0.7158 | NPC168393 |
Intermediate Similarity | 0.7158 | NPC313030 |
TTD   | |
DrugBank   | DB03255 |
ChEMBL   | CHEMBL14060 |
IUPHAR/BPS   | |
PharmaGKB   | PA450913 |
KEGG Drug   | D00033 |
PubChem CID   | |
ChEBI   | 15882 |
CAS Number   | 108-95-2 |
Molecular Weight   | 94.04 |
ALogP   | -0.4603 |
MLogP   | 2.01 |
XLogP   | 2.044 |
HDA   | 0 |
HBD   | 1 |
Rotatable Bonds   | 1 |
TPSA   | 20.23 |
RO5 Violation   | 0 |