Drug ID:   | NPD1859 |
Drug Name:   | Clorazepic Acid |
Molecular Formula:   | C16H11ClN2O3 |
Canonical SMILES:   | OC(=O)C1N=C(c2ccccc2)c2c(N=C1O)ccc(c2)Cl |
Standard InCHI:   | InChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22) |
Standard InCHIKey:   | XDDJGVMJFWAHJX-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; IUPHAR/BPS |
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 | 0.8889 | NPC317564 |
Intermediate Similarity | 0.7943 | NPC325599 |
Remote Similarity | 0.6781 | NPC476950 |
Remote Similarity | 0.6733 | NPC313352 |
Remote Similarity | 0.6535 | NPC78154 |
Remote Similarity | 0.6479 | NPC147957 |
Remote Similarity | 0.6456 | NPC477890 |
Remote Similarity | 0.6403 | NPC319579 |
Remote Similarity | 0.6383 | NPC187036 |
Remote Similarity | 0.637 | NPC471310 |
Remote Similarity | 0.6351 | NPC317758 |
Remote Similarity | 0.6338 | NPC471318 |
Remote Similarity | 0.6338 | NPC205652 |
Remote Similarity | 0.6335 | NPC254798 |
Remote Similarity | 0.6313 | NPC232872 |
Remote Similarity | 0.6301 | NPC45777 |
Remote Similarity | 0.6301 | NPC477061 |
Remote Similarity | 0.625 | NPC178681 |
Remote Similarity | 0.625 | NPC314186 |
Remote Similarity | 0.6225 | NPC478079 |
Remote Similarity | 0.6224 | NPC470550 |
Remote Similarity | 0.6207 | NPC192209 |
Remote Similarity | 0.6178 | NPC122553 |
Remote Similarity | 0.6154 | NPC296163 |
Remote Similarity | 0.6148 | NPC12730 |
Remote Similarity | 0.6143 | NPC302790 |
Remote Similarity | 0.6131 | NPC164859 |
Remote Similarity | 0.6127 | NPC116961 |
Remote Similarity | 0.6119 | NPC311242 |
Remote Similarity | 0.6118 | NPC476231 |
Remote Similarity | 0.6118 | NPC58827 |
Remote Similarity | 0.6118 | NPC307437 |
Remote Similarity | 0.6118 | NPC72473 |
Remote Similarity | 0.6115 | NPC327481 |
Remote Similarity | 0.6108 | NPC473297 |
Remote Similarity | 0.6104 | NPC316746 |
Remote Similarity | 0.6096 | NPC313449 |
Remote Similarity | 0.6076 | NPC287358 |
Remote Similarity | 0.6074 | NPC478039 |
Remote Similarity | 0.6062 | NPC471574 |
Remote Similarity | 0.6054 | NPC264580 |
Remote Similarity | 0.6043 | NPC474559 |
Remote Similarity | 0.6036 | NPC477887 |
Remote Similarity | 0.6023 | NPC469938 |
Remote Similarity | 0.6015 | NPC476483 |
Remote Similarity | 0.6 | NPC325441 |
Remote Similarity | 0.6 | NPC477591 |
Remote Similarity | 0.5988 | NPC189116 |
Remote Similarity | 0.5987 | NPC4974 |
Remote Similarity | 0.5987 | NPC184437 |
Remote Similarity | 0.5987 | NPC474926 |
Remote Similarity | 0.5985 | NPC226438 |
Remote Similarity | 0.5984 | NPC15839 |
Remote Similarity | 0.5976 | NPC259678 |
Remote Similarity | 0.5974 | NPC259098 |
Remote Similarity | 0.5974 | NPC197680 |
Remote Similarity | 0.5973 | NPC478016 |
Remote Similarity | 0.5973 | NPC478014 |
Remote Similarity | 0.5973 | NPC478015 |
Remote Similarity | 0.5973 | NPC80150 |
Remote Similarity | 0.5972 | NPC474584 |
Remote Similarity | 0.5964 | NPC37548 |
Remote Similarity | 0.5963 | NPC32002 |
Remote Similarity | 0.5963 | NPC315348 |
Remote Similarity | 0.5963 | NPC316202 |
Remote Similarity | 0.596 | NPC283130 |
Remote Similarity | 0.596 | NPC328683 |
Remote Similarity | 0.5957 | NPC37584 |
Remote Similarity | 0.5952 | NPC471132 |
Remote Similarity | 0.5951 | NPC136002 |
Remote Similarity | 0.5946 | NPC310467 |
Remote Similarity | 0.593 | NPC133470 |
Remote Similarity | 0.593 | NPC289776 |
Remote Similarity | 0.593 | NPC191863 |
Remote Similarity | 0.5929 | NPC313810 |
Remote Similarity | 0.5917 | NPC470507 |
Remote Similarity | 0.5915 | NPC77294 |
Remote Similarity | 0.5909 | NPC258627 |
Remote Similarity | 0.5903 | NPC329011 |
Remote Similarity | 0.5901 | NPC243162 |
Remote Similarity | 0.589 | NPC314287 |
Remote Similarity | 0.5887 | NPC274089 |
Remote Similarity | 0.5887 | NPC191215 |
Remote Similarity | 0.5882 | NPC325013 |
Remote Similarity | 0.5882 | NPC47667 |
Remote Similarity | 0.5878 | NPC169328 |
Remote Similarity | 0.5878 | NPC12429 |
Remote Similarity | 0.5871 | NPC150863 |
Remote Similarity | 0.5868 | NPC187951 |
Remote Similarity | 0.5866 | NPC183662 |
Remote Similarity | 0.5866 | NPC15573 |
Remote Similarity | 0.5866 | NPC217372 |
Remote Similarity | 0.5862 | NPC471130 |
Remote Similarity | 0.5855 | NPC35996 |
Remote Similarity | 0.5852 | NPC303045 |
Remote Similarity | 0.5852 | NPC161972 |
Remote Similarity | 0.585 | NPC288232 |
Remote Similarity | 0.5848 | NPC104345 |
Remote Similarity | 0.5846 | NPC203076 |
Remote Similarity | 0.5843 | NPC203468 |
Remote Similarity | 0.5843 | NPC149155 |
Remote Similarity | 0.5843 | NPC110500 |
Remote Similarity | 0.5839 | NPC471312 |
Remote Similarity | 0.5839 | NPC220698 |
Remote Similarity | 0.5838 | NPC88970 |
Remote Similarity | 0.5833 | NPC313981 |
Remote Similarity | 0.5833 | NPC219336 |
Remote Similarity | 0.5833 | NPC314431 |
Remote Similarity | 0.5833 | NPC470877 |
Remote Similarity | 0.5829 | NPC278887 |
Remote Similarity | 0.5827 | NPC307456 |
Remote Similarity | 0.5824 | NPC38736 |
Remote Similarity | 0.5822 | NPC314141 |
Remote Similarity | 0.5822 | NPC35850 |
Remote Similarity | 0.5822 | NPC276949 |
Remote Similarity | 0.5819 | NPC355 |
Remote Similarity | 0.5816 | NPC211551 |
Remote Similarity | 0.5813 | NPC159589 |
Remote Similarity | 0.5811 | NPC470544 |
Remote Similarity | 0.581 | NPC267885 |
Remote Similarity | 0.581 | NPC288785 |
Remote Similarity | 0.5809 | NPC25565 |
Remote Similarity | 0.5806 | NPC199738 |
Remote Similarity | 0.5806 | NPC210950 |
Remote Similarity | 0.5806 | NPC469949 |
Remote Similarity | 0.5804 | NPC164802 |
Remote Similarity | 0.5802 | NPC473031 |
Remote Similarity | 0.58 | NPC162689 |
Remote Similarity | 0.58 | NPC54102 |
Remote Similarity | 0.5793 | NPC275410 |
Remote Similarity | 0.5789 | NPC285469 |
Remote Similarity | 0.5789 | NPC74936 |
Remote Similarity | 0.5789 | NPC191444 |
Remote Similarity | 0.5789 | NPC209764 |
Remote Similarity | 0.5789 | NPC471307 |
Remote Similarity | 0.5789 | NPC172128 |
Remote Similarity | 0.5789 | NPC78041 |
Remote Similarity | 0.5789 | NPC121872 |
Remote Similarity | 0.5789 | NPC476464 |
Remote Similarity | 0.5789 | NPC141139 |
Remote Similarity | 0.5789 | NPC159178 |
Remote Similarity | 0.5786 | NPC471317 |
Remote Similarity | 0.5786 | NPC202613 |
Remote Similarity | 0.5779 | NPC205946 |
Remote Similarity | 0.5772 | NPC470545 |
Remote Similarity | 0.5772 | NPC148140 |
Remote Similarity | 0.5766 | NPC473501 |
Remote Similarity | 0.5766 | NPC475439 |
Remote Similarity | 0.5762 | NPC316582 |
Remote Similarity | 0.5759 | NPC40364 |
Remote Similarity | 0.5759 | NPC53044 |
Remote Similarity | 0.5758 | NPC262393 |
Remote Similarity | 0.5756 | NPC211525 |
Remote Similarity | 0.5756 | NPC153694 |
Remote Similarity | 0.5754 | NPC95412 |
Remote Similarity | 0.5753 | NPC175474 |
Remote Similarity | 0.5753 | NPC321708 |
Remote Similarity | 0.5753 | NPC273814 |
Remote Similarity | 0.575 | NPC300299 |
Remote Similarity | 0.5746 | NPC283219 |
Remote Similarity | 0.5746 | NPC126709 |
Remote Similarity | 0.5746 | NPC248041 |
Remote Similarity | 0.5743 | NPC197470 |
Remote Similarity | 0.5742 | NPC477937 |
Remote Similarity | 0.5742 | NPC322433 |
Remote Similarity | 0.574 | NPC154602 |
Remote Similarity | 0.5733 | NPC237420 |
Remote Similarity | 0.5733 | NPC470546 |
Remote Similarity | 0.5733 | NPC81561 |
Remote Similarity | 0.5733 | NPC314992 |
Remote Similarity | 0.5732 | NPC9856 |
Remote Similarity | 0.5732 | NPC472245 |
Remote Similarity | 0.5732 | NPC280807 |
Remote Similarity | 0.573 | NPC83241 |
Remote Similarity | 0.573 | NPC6982 |
Remote Similarity | 0.5729 | NPC204303 |
Remote Similarity | 0.5723 | NPC243673 |
Remote Similarity | 0.5723 | NPC242556 |
Remote Similarity | 0.5723 | NPC310403 |
Remote Similarity | 0.5723 | NPC148468 |
Remote Similarity | 0.5723 | NPC263709 |
Remote Similarity | 0.5723 | NPC63210 |
Remote Similarity | 0.5723 | NPC97380 |
Remote Similarity | 0.5714 | NPC300596 |
Remote Similarity | 0.5714 | NPC291610 |
Remote Similarity | 0.5714 | NPC176858 |
Remote Similarity | 0.5714 | NPC314919 |
Remote Similarity | 0.5714 | NPC237649 |
Remote Similarity | 0.5707 | NPC470003 |
Remote Similarity | 0.5706 | NPC469426 |
Remote Similarity | 0.5706 | NPC285381 |
Remote Similarity | 0.5706 | NPC469462 |
Remote Similarity | 0.5706 | NPC469427 |
Remote Similarity | 0.5706 | NPC106688 |
Remote Similarity | 0.5705 | NPC2265 |
Remote Similarity | 0.5704 | NPC108800 |
Remote Similarity | 0.5695 | NPC226143 |
Remote Similarity | 0.5693 | NPC3371 |
Remote Similarity | 0.5691 | NPC293472 |
Remote Similarity | 0.569 | NPC68650 |
TTD   | DAP000240 |
DrugBank   | DB00628 |
ChEMBL   | CHEMBL1213252 |
IUPHAR/BPS   | 7548 |
PharmaGKB   | PA164749297 |
KEGG Drug   | D00694 |
PubChem CID   | 2809 |
ChEBI   | 3761 |
CAS Number   | 23887-31-2 |
Molecular Weight   | 314.05 |
ALogP   | 0.1602 |
MLogP   | 2.56 |
XLogP   | 4.485 |
HDA   | 5 |
HBD   | 2 |
Rotatable Bonds   | 5 |
TPSA   | 82.25 |
RO5 Violation   | 0 |