Drug ID:   | NPD9269 |
Drug Name:   | Gallic Acid |
Molecular Formula:   | C7H6O5 |
Canonical SMILES:   | OC(=O)c1cc(O)c(c(c1)O)O |
Standard InCHI:   | InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) |
Standard InCHIKey:   | LNTHITQWFMADLM-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 2 |
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 | NPC225710 |
High Similarity | 0.9483 | NPC156654 |
High Similarity | 0.9421 | NPC214620 |
High Similarity | 0.9274 | NPC264145 |
High Similarity | 0.913 | NPC98543 |
High Similarity | 0.9127 | NPC156124 |
High Similarity | 0.9127 | NPC1321 |
High Similarity | 0.9127 | NPC304929 |
High Similarity | 0.8984 | NPC18646 |
High Similarity | 0.8952 | NPC107672 |
High Similarity | 0.8915 | NPC156892 |
High Similarity | 0.8846 | NPC125417 |
High Similarity | 0.8846 | NPC25305 |
High Similarity | 0.8846 | NPC95679 |
High Similarity | 0.8846 | NPC112068 |
High Similarity | 0.8846 | NPC110899 |
High Similarity | 0.88 | NPC158654 |
High Similarity | 0.8779 | NPC239943 |
High Similarity | 0.876 | NPC260837 |
High Similarity | 0.8712 | NPC225036 |
High Similarity | 0.8712 | NPC12218 |
High Similarity | 0.8712 | NPC105525 |
High Similarity | 0.8712 | NPC75763 |
High Similarity | 0.8672 | NPC469526 |
High Similarity | 0.8672 | NPC34070 |
High Similarity | 0.8661 | NPC94810 |
High Similarity | 0.8661 | NPC226855 |
High Similarity | 0.8655 | NPC4665 |
High Similarity | 0.8615 | NPC155098 |
High Similarity | 0.8605 | NPC135801 |
High Similarity | 0.8595 | NPC241089 |
High Similarity | 0.8594 | NPC26697 |
High Similarity | 0.8571 | NPC471819 |
High Similarity | 0.8512 | NPC150919 |
High Similarity | 0.85 | NPC278102 |
Intermediate Similarity | 0.8485 | NPC223836 |
Intermediate Similarity | 0.8462 | NPC111888 |
Intermediate Similarity | 0.8456 | NPC114242 |
Intermediate Similarity | 0.8456 | NPC121573 |
Intermediate Similarity | 0.8456 | NPC229036 |
Intermediate Similarity | 0.8456 | NPC22176 |
Intermediate Similarity | 0.8456 | NPC190587 |
Intermediate Similarity | 0.8456 | NPC50221 |
Intermediate Similarity | 0.8456 | NPC134975 |
Intermediate Similarity | 0.8456 | NPC226738 |
Intermediate Similarity | 0.845 | NPC233056 |
Intermediate Similarity | 0.8448 | NPC29883 |
Intermediate Similarity | 0.8409 | NPC208760 |
Intermediate Similarity | 0.8397 | NPC239855 |
Intermediate Similarity | 0.8397 | NPC283823 |
Intermediate Similarity | 0.8397 | NPC159418 |
Intermediate Similarity | 0.8394 | NPC108455 |
Intermediate Similarity | 0.8387 | NPC248363 |
Intermediate Similarity | 0.8362 | NPC184658 |
Intermediate Similarity | 0.8362 | NPC187913 |
Intermediate Similarity | 0.8359 | NPC209959 |
Intermediate Similarity | 0.8359 | NPC156539 |
Intermediate Similarity | 0.8358 | NPC207516 |
Intermediate Similarity | 0.8346 | NPC262671 |
Intermediate Similarity | 0.8346 | NPC201728 |
Intermediate Similarity | 0.8333 | NPC248150 |
Intermediate Similarity | 0.8333 | NPC204582 |
Intermediate Similarity | 0.8333 | NPC237330 |
Intermediate Similarity | 0.8333 | NPC262282 |
Intermediate Similarity | 0.8308 | NPC299010 |
Intermediate Similarity | 0.8271 | NPC274613 |
Intermediate Similarity | 0.8271 | NPC129752 |
Intermediate Similarity | 0.8235 | NPC222084 |
Intermediate Similarity | 0.8222 | NPC175552 |
Intermediate Similarity | 0.8214 | NPC120621 |
Intermediate Similarity | 0.8214 | NPC43123 |
Intermediate Similarity | 0.8214 | NPC248257 |
Intermediate Similarity | 0.8214 | NPC142528 |
Intermediate Similarity | 0.8209 | NPC475111 |
Intermediate Similarity | 0.8209 | NPC156307 |
Intermediate Similarity | 0.8209 | NPC65005 |
Intermediate Similarity | 0.8209 | NPC194764 |
Intermediate Similarity | 0.8209 | NPC264112 |
Intermediate Similarity | 0.8203 | NPC10926 |
Intermediate Similarity | 0.8182 | NPC223004 |
Intermediate Similarity | 0.8168 | NPC244441 |
Intermediate Similarity | 0.8168 | NPC285776 |
Intermediate Similarity | 0.8162 | NPC4796 |
Intermediate Similarity | 0.8156 | NPC92117 |
Intermediate Similarity | 0.8156 | NPC42464 |
Intermediate Similarity | 0.8156 | NPC107636 |
Intermediate Similarity | 0.8156 | NPC75945 |
Intermediate Similarity | 0.8156 | NPC471907 |
Intermediate Similarity | 0.8154 | NPC41263 |
Intermediate Similarity | 0.8148 | NPC290030 |
Intermediate Similarity | 0.8148 | NPC170742 |
Intermediate Similarity | 0.8143 | NPC268366 |
Intermediate Similarity | 0.814 | NPC8745 |
Intermediate Similarity | 0.8134 | NPC72918 |
Intermediate Similarity | 0.813 | NPC312800 |
Intermediate Similarity | 0.8129 | NPC257025 |
Intermediate Similarity | 0.8125 | NPC13238 |
Intermediate Similarity | 0.8125 | NPC145134 |
Intermediate Similarity | 0.812 | NPC288743 |
Intermediate Similarity | 0.8102 | NPC203063 |
Intermediate Similarity | 0.8099 | NPC306343 |
Intermediate Similarity | 0.8088 | NPC112135 |
Intermediate Similarity | 0.808 | NPC158222 |
Intermediate Similarity | 0.8077 | NPC324209 |
Intermediate Similarity | 0.8065 | NPC230349 |
Intermediate Similarity | 0.8058 | NPC238629 |
Intermediate Similarity | 0.8051 | NPC1786 |
Intermediate Similarity | 0.8051 | NPC1075 |
Intermediate Similarity | 0.8051 | NPC294902 |
Intermediate Similarity | 0.8042 | NPC252979 |
Intermediate Similarity | 0.8042 | NPC140151 |
Intermediate Similarity | 0.8033 | NPC148969 |
Intermediate Similarity | 0.803 | NPC17840 |
Intermediate Similarity | 0.803 | NPC247477 |
Intermediate Similarity | 0.8029 | NPC472903 |
Intermediate Similarity | 0.8016 | NPC159525 |
Intermediate Similarity | 0.8015 | NPC179898 |
Intermediate Similarity | 0.8 | NPC63126 |
Intermediate Similarity | 0.8 | NPC209486 |
Intermediate Similarity | 0.8 | NPC95309 |
Intermediate Similarity | 0.8 | NPC283844 |
Intermediate Similarity | 0.8 | NPC40649 |
Intermediate Similarity | 0.7986 | NPC312256 |
Intermediate Similarity | 0.7986 | NPC221249 |
Intermediate Similarity | 0.7986 | NPC75695 |
Intermediate Similarity | 0.7986 | NPC299154 |
Intermediate Similarity | 0.7984 | NPC85565 |
Intermediate Similarity | 0.7972 | NPC9099 |
Intermediate Similarity | 0.7971 | NPC50823 |
Intermediate Similarity | 0.7971 | NPC326065 |
Intermediate Similarity | 0.7971 | NPC290664 |
Intermediate Similarity | 0.797 | NPC198249 |
Intermediate Similarity | 0.797 | NPC219892 |
Intermediate Similarity | 0.797 | NPC189823 |
Intermediate Similarity | 0.7969 | NPC297193 |
Intermediate Similarity | 0.7958 | NPC476463 |
Intermediate Similarity | 0.7956 | NPC152942 |
Intermediate Similarity | 0.7956 | NPC302857 |
Intermediate Similarity | 0.7956 | NPC257173 |
Intermediate Similarity | 0.7956 | NPC37250 |
Intermediate Similarity | 0.7956 | NPC123714 |
Intermediate Similarity | 0.7956 | NPC142703 |
Intermediate Similarity | 0.7956 | NPC278068 |
Intermediate Similarity | 0.7956 | NPC219428 |
Intermediate Similarity | 0.7953 | NPC146642 |
Intermediate Similarity | 0.7941 | NPC326847 |
Intermediate Similarity | 0.7939 | NPC473787 |
Intermediate Similarity | 0.7937 | NPC161617 |
Intermediate Similarity | 0.7931 | NPC44260 |
Intermediate Similarity | 0.7931 | NPC16024 |
Intermediate Similarity | 0.7931 | NPC3746 |
Intermediate Similarity | 0.7931 | NPC205037 |
Intermediate Similarity | 0.7931 | NPC61152 |
Intermediate Similarity | 0.7931 | NPC105827 |
Intermediate Similarity | 0.7931 | NPC310661 |
Intermediate Similarity | 0.7929 | NPC287722 |
Intermediate Similarity | 0.7926 | NPC45404 |
Intermediate Similarity | 0.792 | NPC28169 |
Intermediate Similarity | 0.7917 | NPC96501 |
Intermediate Similarity | 0.7914 | NPC472904 |
Intermediate Similarity | 0.7914 | NPC91546 |
Intermediate Similarity | 0.7914 | NPC110419 |
Intermediate Similarity | 0.7899 | NPC474875 |
Intermediate Similarity | 0.7899 | NPC26241 |
Intermediate Similarity | 0.7899 | NPC295492 |
Intermediate Similarity | 0.7899 | NPC317592 |
Intermediate Similarity | 0.7899 | NPC303683 |
Intermediate Similarity | 0.7899 | NPC274891 |
Intermediate Similarity | 0.7899 | NPC476819 |
Intermediate Similarity | 0.7899 | NPC476820 |
Intermediate Similarity | 0.7899 | NPC205751 |
Intermediate Similarity | 0.7895 | NPC147757 |
Intermediate Similarity | 0.7891 | NPC115159 |
Intermediate Similarity | 0.7891 | NPC45438 |
Intermediate Similarity | 0.7891 | NPC143427 |
Intermediate Similarity | 0.7891 | NPC224273 |
Intermediate Similarity | 0.7891 | NPC322332 |
Intermediate Similarity | 0.7891 | NPC73532 |
Intermediate Similarity | 0.7891 | NPC267552 |
Intermediate Similarity | 0.7891 | NPC19174 |
Intermediate Similarity | 0.7887 | NPC165389 |
Intermediate Similarity | 0.7887 | NPC138978 |
Intermediate Similarity | 0.7879 | NPC234175 |
Intermediate Similarity | 0.7879 | NPC79332 |
Intermediate Similarity | 0.7877 | NPC281703 |
Intermediate Similarity | 0.7877 | NPC125487 |
Intermediate Similarity | 0.7874 | NPC294037 |
Intermediate Similarity | 0.7872 | NPC105213 |
Intermediate Similarity | 0.7872 | NPC207732 |
Intermediate Similarity | 0.7872 | NPC142165 |
Intermediate Similarity | 0.7863 | NPC154275 |
Intermediate Similarity | 0.7862 | NPC92747 |
Intermediate Similarity | 0.7862 | NPC265862 |
Intermediate Similarity | 0.7857 | NPC314271 |
Intermediate Similarity | 0.7857 | NPC291078 |
Intermediate Similarity | 0.7857 | NPC284556 |
Intermediate Similarity | 0.7857 | NPC301178 |
Intermediate Similarity | 0.7852 | NPC200422 |
Intermediate Similarity | 0.7852 | NPC289572 |
Intermediate Similarity | 0.7852 | NPC48036 |
Molecular Weight   | 170.02 |
ALogP   | -1.6207 |
MLogP   | 1.68 |
XLogP   | 0.002 |
HDA   | 2 |
HBD   | 4 |
Rotatable Bonds   | 5 |
TPSA   | 97.99 |
RO5 Violation   | 0 |