Drug ID:   | NPD9374 |
Drug Name:   | Acyclovir |
Molecular Formula:   | C8H11N5O3 |
Canonical SMILES:   | OCCOCn1cnc2c1[nH]c(=N)nc2O |
Standard InCHI:   | InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15) |
Standard InCHIKey:   | MKUXAQIIEYXACX-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 | 0.9633 | NPC327579 |
High Similarity | 0.8537 | NPC262926 |
Intermediate Similarity | 0.8468 | NPC61198 |
Intermediate Similarity | 0.8349 | NPC59314 |
Intermediate Similarity | 0.8226 | NPC324009 |
Intermediate Similarity | 0.8198 | NPC119133 |
Intermediate Similarity | 0.8174 | NPC313547 |
Intermediate Similarity | 0.816 | NPC319221 |
Intermediate Similarity | 0.814 | NPC186619 |
Intermediate Similarity | 0.8087 | NPC41958 |
Intermediate Similarity | 0.8073 | NPC293163 |
Intermediate Similarity | 0.8015 | NPC318590 |
Intermediate Similarity | 0.8015 | NPC251233 |
Intermediate Similarity | 0.8015 | NPC211820 |
Intermediate Similarity | 0.7955 | NPC177169 |
Intermediate Similarity | 0.7955 | NPC317746 |
Intermediate Similarity | 0.7955 | NPC274384 |
Intermediate Similarity | 0.7955 | NPC89147 |
Intermediate Similarity | 0.7895 | NPC232408 |
Intermediate Similarity | 0.7895 | NPC64705 |
Intermediate Similarity | 0.7857 | NPC10466 |
Intermediate Similarity | 0.7752 | NPC320818 |
Intermediate Similarity | 0.7727 | NPC320256 |
Intermediate Similarity | 0.7634 | NPC30326 |
Intermediate Similarity | 0.75 | NPC63433 |
Intermediate Similarity | 0.7407 | NPC315642 |
Intermediate Similarity | 0.7407 | NPC74306 |
Intermediate Similarity | 0.7143 | NPC14590 |
Intermediate Similarity | 0.7132 | NPC317821 |
Intermediate Similarity | 0.7059 | NPC129756 |
Remote Similarity | 0.6985 | NPC33996 |
Remote Similarity | 0.696 | NPC240084 |
Remote Similarity | 0.6929 | NPC156461 |
Remote Similarity | 0.6929 | NPC107374 |
Remote Similarity | 0.6929 | NPC21448 |
Remote Similarity | 0.6923 | NPC150853 |
Remote Similarity | 0.6906 | NPC229974 |
Remote Similarity | 0.6884 | NPC161659 |
Remote Similarity | 0.6884 | NPC209525 |
Remote Similarity | 0.6879 | NPC189068 |
Remote Similarity | 0.6879 | NPC164665 |
Remote Similarity | 0.6864 | NPC476561 |
Remote Similarity | 0.6842 | NPC51000 |
Remote Similarity | 0.6831 | NPC309832 |
Remote Similarity | 0.6831 | NPC269827 |
Remote Similarity | 0.6831 | NPC219313 |
Remote Similarity | 0.6786 | NPC314152 |
Remote Similarity | 0.6736 | NPC136349 |
Remote Similarity | 0.6718 | NPC248007 |
Remote Similarity | 0.6716 | NPC287876 |
Remote Similarity | 0.6712 | NPC321052 |
Remote Similarity | 0.6689 | NPC52238 |
Remote Similarity | 0.6644 | NPC54320 |
Remote Similarity | 0.6644 | NPC85689 |
Remote Similarity | 0.6644 | NPC313754 |
Remote Similarity | 0.6644 | NPC211025 |
Remote Similarity | 0.6644 | NPC311197 |
Remote Similarity | 0.6644 | NPC185991 |
Remote Similarity | 0.6642 | NPC14330 |
Remote Similarity | 0.6641 | NPC109322 |
Remote Similarity | 0.6618 | NPC57279 |
Remote Similarity | 0.6613 | NPC47936 |
Remote Similarity | 0.6612 | NPC476099 |
Remote Similarity | 0.6599 | NPC321814 |
Remote Similarity | 0.6599 | NPC328479 |
Remote Similarity | 0.6599 | NPC472816 |
Remote Similarity | 0.6562 | NPC278549 |
Remote Similarity | 0.6554 | NPC130586 |
Remote Similarity | 0.6554 | NPC212551 |
Remote Similarity | 0.6554 | NPC164952 |
Remote Similarity | 0.6554 | NPC302778 |
Remote Similarity | 0.6552 | NPC121222 |
Remote Similarity | 0.6533 | NPC239737 |
Remote Similarity | 0.651 | NPC174802 |
Remote Similarity | 0.6493 | NPC144223 |
Remote Similarity | 0.649 | NPC195140 |
Remote Similarity | 0.6489 | NPC139776 |
Remote Similarity | 0.6475 | NPC476562 |
Remote Similarity | 0.6467 | NPC224076 |
Remote Similarity | 0.6463 | NPC326694 |
Remote Similarity | 0.6457 | NPC327613 |
Remote Similarity | 0.6424 | NPC226245 |
Remote Similarity | 0.6424 | NPC316618 |
Remote Similarity | 0.6419 | NPC161224 |
Remote Similarity | 0.6376 | NPC207633 |
Remote Similarity | 0.635 | NPC246193 |
Remote Similarity | 0.6349 | NPC312187 |
Remote Similarity | 0.6349 | NPC4837 |
Remote Similarity | 0.6346 | NPC261595 |
Remote Similarity | 0.6341 | NPC476564 |
Remote Similarity | 0.632 | NPC75131 |
Remote Similarity | 0.6311 | NPC273327 |
Remote Similarity | 0.6306 | NPC321458 |
Remote Similarity | 0.6306 | NPC324033 |
Remote Similarity | 0.623 | NPC174114 |
Remote Similarity | 0.623 | NPC87981 |
Remote Similarity | 0.6222 | NPC180493 |
Remote Similarity | 0.6218 | NPC323091 |
Remote Similarity | 0.6207 | NPC290449 |
Remote Similarity | 0.6202 | NPC199790 |
Remote Similarity | 0.6194 | NPC5707 |
Remote Similarity | 0.6178 | NPC324484 |
Remote Similarity | 0.6139 | NPC325906 |
Remote Similarity | 0.6124 | NPC256849 |
Remote Similarity | 0.6115 | NPC104011 |
Remote Similarity | 0.6104 | NPC93365 |
Remote Similarity | 0.6096 | NPC8590 |
Remote Similarity | 0.609 | NPC252603 |
Remote Similarity | 0.608 | NPC18335 |
Remote Similarity | 0.6062 | NPC290959 |
Remote Similarity | 0.6031 | NPC148385 |
Remote Similarity | 0.6014 | NPC180462 |
Remote Similarity | 0.6 | NPC303899 |
Remote Similarity | 0.5976 | NPC189261 |
Remote Similarity | 0.595 | NPC9639 |
Remote Similarity | 0.5915 | NPC313897 |
Remote Similarity | 0.5915 | NPC326529 |
Remote Similarity | 0.5896 | NPC158847 |
Remote Similarity | 0.5879 | NPC324198 |
Remote Similarity | 0.5879 | NPC319100 |
Remote Similarity | 0.5864 | NPC326082 |
Remote Similarity | 0.584 | NPC326248 |
Remote Similarity | 0.584 | NPC187191 |
Remote Similarity | 0.5781 | NPC155498 |
Remote Similarity | 0.5756 | NPC313514 |
Remote Similarity | 0.5755 | NPC15566 |
Remote Similarity | 0.5753 | NPC470141 |
Remote Similarity | 0.5748 | NPC111132 |
Remote Similarity | 0.5704 | NPC68938 |
Remote Similarity | 0.5695 | NPC174020 |
Remote Similarity | 0.5676 | NPC210947 |
Remote Similarity | 0.5664 | NPC243319 |
Remote Similarity | 0.5638 | NPC185903 |
Remote Similarity | 0.5635 | NPC332382 |
Remote Similarity | 0.5625 | NPC470138 |
Molecular Weight   | 225.09 |
ALogP   | -1.2585 |
MLogP   | 1.46 |
XLogP   | -1.021 |
HDA   | 8 |
HBD   | 4 |
Rotatable Bonds   | 6 |
TPSA   | 115.75 |
RO5 Violation   | 0 |