Drug ID:   | NPD955 |
Drug Name:   | Phenyl Aminosalicylate |
Molecular Formula:   | C13H11NO3 |
Canonical SMILES:   | Nc1ccc(c(c1)O)C(=O)Oc1ccccc1 |
Standard InCHI:   | InChI=1S/C13H11NO3/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h1-8,15H,14H2 |
Standard InCHIKey:   | DNVVZWSVACQWJE-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 | 0.8859 | NPC301702 |
Intermediate Similarity | 0.7871 | NPC316574 |
Intermediate Similarity | 0.7849 | NPC9475 |
Intermediate Similarity | 0.7658 | NPC181526 |
Intermediate Similarity | 0.7553 | NPC313112 |
Intermediate Similarity | 0.7553 | NPC301292 |
Intermediate Similarity | 0.754 | NPC288759 |
Intermediate Similarity | 0.7517 | NPC150323 |
Intermediate Similarity | 0.7483 | NPC311219 |
Intermediate Similarity | 0.7469 | NPC323798 |
Intermediate Similarity | 0.7451 | NPC4164 |
Intermediate Similarity | 0.7386 | NPC193805 |
Intermediate Similarity | 0.7356 | NPC471778 |
Intermediate Similarity | 0.7337 | NPC114039 |
Intermediate Similarity | 0.7337 | NPC206109 |
Intermediate Similarity | 0.7285 | NPC233282 |
Intermediate Similarity | 0.7273 | NPC17760 |
Intermediate Similarity | 0.7267 | NPC199737 |
Intermediate Similarity | 0.7263 | NPC15987 |
Intermediate Similarity | 0.7239 | NPC13696 |
Intermediate Similarity | 0.7229 | NPC315829 |
Intermediate Similarity | 0.7225 | NPC204867 |
Intermediate Similarity | 0.7222 | NPC288305 |
Intermediate Similarity | 0.72 | NPC174760 |
Intermediate Similarity | 0.7196 | NPC241263 |
Intermediate Similarity | 0.7188 | NPC287533 |
Intermediate Similarity | 0.7171 | NPC230951 |
Intermediate Similarity | 0.7168 | NPC475983 |
Intermediate Similarity | 0.7161 | NPC205946 |
Intermediate Similarity | 0.7152 | NPC238309 |
Intermediate Similarity | 0.7151 | NPC127082 |
Intermediate Similarity | 0.7113 | NPC198160 |
Intermediate Similarity | 0.7107 | NPC12694 |
Intermediate Similarity | 0.7085 | NPC3207 |
Intermediate Similarity | 0.7055 | NPC319645 |
Intermediate Similarity | 0.7044 | NPC197425 |
Intermediate Similarity | 0.7039 | NPC94637 |
Intermediate Similarity | 0.7035 | NPC176113 |
Intermediate Similarity | 0.7035 | NPC116238 |
Intermediate Similarity | 0.7025 | NPC22783 |
Intermediate Similarity | 0.7025 | NPC122235 |
Intermediate Similarity | 0.7022 | NPC112336 |
Intermediate Similarity | 0.7022 | NPC474814 |
Intermediate Similarity | 0.702 | NPC128825 |
Intermediate Similarity | 0.7012 | NPC314252 |
Intermediate Similarity | 0.7 | NPC8467 |
Intermediate Similarity | 0.7 | NPC115998 |
Intermediate Similarity | 0.7 | NPC39753 |
Remote Similarity | 0.6993 | NPC90522 |
Remote Similarity | 0.6993 | NPC328459 |
Remote Similarity | 0.6987 | NPC226794 |
Remote Similarity | 0.6987 | NPC93730 |
Remote Similarity | 0.6983 | NPC73280 |
Remote Similarity | 0.6978 | NPC98416 |
Remote Similarity | 0.6978 | NPC298320 |
Remote Similarity | 0.6974 | NPC217423 |
Remote Similarity | 0.6974 | NPC45104 |
Remote Similarity | 0.697 | NPC332594 |
Remote Similarity | 0.697 | NPC218303 |
Remote Similarity | 0.6966 | NPC473196 |
Remote Similarity | 0.6965 | NPC169402 |
Remote Similarity | 0.6963 | NPC234933 |
Remote Similarity | 0.6957 | NPC137264 |
Remote Similarity | 0.6954 | NPC477825 |
Remote Similarity | 0.6954 | NPC188907 |
Remote Similarity | 0.6952 | NPC474059 |
Remote Similarity | 0.6948 | NPC130931 |
Remote Similarity | 0.6948 | NPC474874 |
Remote Similarity | 0.6948 | NPC72977 |
Remote Similarity | 0.694 | NPC327005 |
Remote Similarity | 0.6937 | NPC314098 |
Remote Similarity | 0.6935 | NPC116178 |
Remote Similarity | 0.6933 | NPC57601 |
Remote Similarity | 0.6931 | NPC247803 |
Remote Similarity | 0.6928 | NPC32298 |
Remote Similarity | 0.6928 | NPC229353 |
Remote Similarity | 0.6919 | NPC474366 |
Remote Similarity | 0.6918 | NPC71525 |
Remote Similarity | 0.6915 | NPC1820 |
Remote Similarity | 0.6915 | NPC475411 |
Remote Similarity | 0.6915 | NPC28510 |
Remote Similarity | 0.6914 | NPC113006 |
Remote Similarity | 0.6909 | NPC242933 |
Remote Similarity | 0.69 | NPC217903 |
Remote Similarity | 0.69 | NPC321166 |
Remote Similarity | 0.6899 | NPC314278 |
Remote Similarity | 0.6894 | NPC7569 |
Remote Similarity | 0.6894 | NPC278787 |
Remote Similarity | 0.6893 | NPC299582 |
Remote Similarity | 0.689 | NPC172262 |
Remote Similarity | 0.689 | NPC43218 |
Remote Similarity | 0.6884 | NPC87413 |
Remote Similarity | 0.6883 | NPC35744 |
Remote Similarity | 0.6883 | NPC54243 |
Remote Similarity | 0.6871 | NPC128216 |
Remote Similarity | 0.6868 | NPC315631 |
Remote Similarity | 0.6863 | NPC150239 |
Remote Similarity | 0.6854 | NPC471652 |
Remote Similarity | 0.6852 | NPC141549 |
Remote Similarity | 0.685 | NPC477827 |
Remote Similarity | 0.685 | NPC477826 |
Remote Similarity | 0.6848 | NPC9985 |
Remote Similarity | 0.6848 | NPC239495 |
Remote Similarity | 0.6845 | NPC220106 |
Remote Similarity | 0.6835 | NPC6888 |
Remote Similarity | 0.6835 | NPC91475 |
Remote Similarity | 0.6835 | NPC265910 |
Remote Similarity | 0.6832 | NPC473019 |
Remote Similarity | 0.6832 | NPC187907 |
Remote Similarity | 0.6829 | NPC50898 |
Remote Similarity | 0.6829 | NPC274121 |
Remote Similarity | 0.6829 | NPC213216 |
Remote Similarity | 0.6829 | NPC78540 |
Remote Similarity | 0.681 | NPC307289 |
Remote Similarity | 0.6807 | NPC318028 |
Remote Similarity | 0.6807 | NPC241086 |
Remote Similarity | 0.6807 | NPC282087 |
Remote Similarity | 0.6807 | NPC317741 |
Remote Similarity | 0.6807 | NPC240593 |
Remote Similarity | 0.6807 | NPC318984 |
Remote Similarity | 0.6807 | NPC259800 |
Remote Similarity | 0.6807 | NPC328137 |
Remote Similarity | 0.6805 | NPC105648 |
Remote Similarity | 0.6797 | NPC33717 |
Remote Similarity | 0.679 | NPC307732 |
Remote Similarity | 0.679 | NPC42292 |
Remote Similarity | 0.6788 | NPC248872 |
Remote Similarity | 0.6786 | NPC254994 |
Remote Similarity | 0.6774 | NPC264976 |
Remote Similarity | 0.6769 | NPC232600 |
Remote Similarity | 0.6766 | NPC266597 |
Remote Similarity | 0.6766 | NPC290291 |
Remote Similarity | 0.6766 | NPC305542 |
Remote Similarity | 0.6766 | NPC254841 |
Remote Similarity | 0.6766 | NPC188879 |
Remote Similarity | 0.6766 | NPC228661 |
Remote Similarity | 0.6766 | NPC250266 |
Remote Similarity | 0.6766 | NPC275055 |
Remote Similarity | 0.6766 | NPC476480 |
Remote Similarity | 0.6766 | NPC84585 |
Remote Similarity | 0.6766 | NPC299379 |
Remote Similarity | 0.6765 | NPC36181 |
Remote Similarity | 0.6755 | NPC469830 |
Remote Similarity | 0.6752 | NPC314329 |
Remote Similarity | 0.6747 | NPC223616 |
Remote Similarity | 0.6744 | NPC153758 |
Remote Similarity | 0.6744 | NPC154217 |
Remote Similarity | 0.6734 | NPC39679 |
Remote Similarity | 0.6733 | NPC30749 |
Remote Similarity | 0.6733 | NPC141068 |
Remote Similarity | 0.673 | NPC89630 |
Remote Similarity | 0.673 | NPC227033 |
Remote Similarity | 0.673 | NPC229113 |
Remote Similarity | 0.673 | NPC107846 |
Remote Similarity | 0.6726 | NPC188947 |
Remote Similarity | 0.6726 | NPC329225 |
Remote Similarity | 0.6726 | NPC147686 |
Remote Similarity | 0.6726 | NPC99333 |
Remote Similarity | 0.6726 | NPC280284 |
Remote Similarity | 0.6726 | NPC472460 |
Remote Similarity | 0.6726 | NPC124269 |
Remote Similarity | 0.6726 | NPC18457 |
Remote Similarity | 0.6725 | NPC66404 |
Remote Similarity | 0.6725 | NPC94794 |
Remote Similarity | 0.6725 | NPC470296 |
Remote Similarity | 0.6725 | NPC196459 |
Remote Similarity | 0.6725 | NPC87609 |
Remote Similarity | 0.6725 | NPC470216 |
Remote Similarity | 0.6725 | NPC188632 |
Remote Similarity | 0.6725 | NPC112791 |
Remote Similarity | 0.6725 | NPC95123 |
Remote Similarity | 0.6722 | NPC470971 |
Remote Similarity | 0.6716 | NPC295479 |
Remote Similarity | 0.6716 | NPC477828 |
Remote Similarity | 0.6716 | NPC220241 |
Remote Similarity | 0.6711 | NPC100551 |
Remote Similarity | 0.6708 | NPC264428 |
Remote Similarity | 0.6708 | NPC181715 |
Remote Similarity | 0.6707 | NPC231772 |
Remote Similarity | 0.6707 | NPC308037 |
Remote Similarity | 0.6707 | NPC473887 |
Remote Similarity | 0.6707 | NPC281917 |
Remote Similarity | 0.6707 | NPC313618 |
Remote Similarity | 0.6707 | NPC29353 |
Remote Similarity | 0.6707 | NPC197239 |
Remote Similarity | 0.6707 | NPC116775 |
Remote Similarity | 0.6707 | NPC64359 |
Remote Similarity | 0.6707 | NPC160747 |
Remote Similarity | 0.6707 | NPC234133 |
Remote Similarity | 0.6707 | NPC216361 |
Remote Similarity | 0.6707 | NPC13408 |
Remote Similarity | 0.6707 | NPC47815 |
Remote Similarity | 0.6707 | NPC187432 |
Remote Similarity | 0.6707 | NPC127447 |
Remote Similarity | 0.6707 | NPC124784 |
Remote Similarity | 0.6707 | NPC326860 |
Remote Similarity | 0.6707 | NPC262359 |
Remote Similarity | 0.6707 | NPC256042 |
Remote Similarity | 0.6707 | NPC194281 |
Remote Similarity | 0.6705 | NPC180477 |
Molecular Weight   | 229.07 |
ALogP   | -1.3013 |
MLogP   | 2.45 |
XLogP   | 3.887 |
HDA   | 2 |
HBD   | 2 |
Rotatable Bonds   | 5 |
TPSA   | 72.55 |
RO5 Violation   | 0 |