Drug ID:   | NPD1256 |
Drug Name:   | Acriflavine |
Molecular Formula:   | C14H13N3 |
Canonical SMILES:   | Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N |
Standard InCHI:   | InChI=1S/C14H13N3/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17/h2-8H,1H3,(H3,15,16)/p+1 |
Standard InCHIKey:   | XSIOKTWDEOJMGG-UHFFFAOYSA-O |
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 | 0.8702 | NPC122718 |
High Similarity | 0.8672 | NPC162689 |
High Similarity | 0.8672 | NPC54102 |
High Similarity | 0.8623 | NPC314102 |
High Similarity | 0.8623 | NPC251722 |
High Similarity | 0.8538 | NPC215519 |
High Similarity | 0.8516 | NPC148140 |
Intermediate Similarity | 0.845 | NPC81561 |
Intermediate Similarity | 0.8345 | NPC198988 |
Intermediate Similarity | 0.831 | NPC284635 |
Intermediate Similarity | 0.8261 | NPC179365 |
Intermediate Similarity | 0.8182 | NPC59084 |
Intermediate Similarity | 0.8169 | NPC169433 |
Intermediate Similarity | 0.8162 | NPC250361 |
Intermediate Similarity | 0.8156 | NPC325252 |
Intermediate Similarity | 0.8125 | NPC63157 |
Intermediate Similarity | 0.8125 | NPC473868 |
Intermediate Similarity | 0.8116 | NPC473587 |
Intermediate Similarity | 0.8112 | NPC88097 |
Intermediate Similarity | 0.8095 | NPC21605 |
Intermediate Similarity | 0.8074 | NPC46358 |
Intermediate Similarity | 0.8067 | NPC476219 |
Intermediate Similarity | 0.8058 | NPC475428 |
Intermediate Similarity | 0.8058 | NPC22079 |
Intermediate Similarity | 0.8056 | NPC2949 |
Intermediate Similarity | 0.8056 | NPC115611 |
Intermediate Similarity | 0.8043 | NPC473762 |
Intermediate Similarity | 0.8 | NPC475450 |
Intermediate Similarity | 0.8 | NPC41174 |
Intermediate Similarity | 0.7987 | NPC33421 |
Intermediate Similarity | 0.7986 | NPC110126 |
Intermediate Similarity | 0.7986 | NPC104483 |
Intermediate Similarity | 0.7947 | NPC476297 |
Intermediate Similarity | 0.7945 | NPC20144 |
Intermediate Similarity | 0.7943 | NPC473930 |
Intermediate Similarity | 0.7929 | NPC282398 |
Intermediate Similarity | 0.7867 | NPC40070 |
Intermediate Similarity | 0.7862 | NPC73767 |
Intermediate Similarity | 0.7857 | NPC215584 |
Intermediate Similarity | 0.7857 | NPC44773 |
Intermediate Similarity | 0.7852 | NPC179787 |
Intermediate Similarity | 0.7852 | NPC201380 |
Intermediate Similarity | 0.7847 | NPC105127 |
Intermediate Similarity | 0.7847 | NPC84911 |
Intermediate Similarity | 0.7838 | NPC470440 |
Intermediate Similarity | 0.78 | NPC321911 |
Intermediate Similarity | 0.7792 | NPC56765 |
Intermediate Similarity | 0.7785 | NPC63545 |
Intermediate Similarity | 0.7778 | NPC476464 |
Intermediate Similarity | 0.7778 | NPC261195 |
Intermediate Similarity | 0.7778 | NPC29886 |
Intermediate Similarity | 0.7778 | NPC96102 |
Intermediate Similarity | 0.777 | NPC476140 |
Intermediate Similarity | 0.7763 | NPC325903 |
Intermediate Similarity | 0.7756 | NPC317105 |
Intermediate Similarity | 0.7733 | NPC469811 |
Intermediate Similarity | 0.7724 | NPC150259 |
Intermediate Similarity | 0.7718 | NPC86288 |
Intermediate Similarity | 0.7697 | NPC470233 |
Intermediate Similarity | 0.7687 | NPC469783 |
Intermediate Similarity | 0.7687 | NPC469780 |
Intermediate Similarity | 0.7687 | NPC469761 |
Intermediate Similarity | 0.7687 | NPC469779 |
Intermediate Similarity | 0.7687 | NPC469768 |
Intermediate Similarity | 0.7687 | NPC469784 |
Intermediate Similarity | 0.7687 | NPC469767 |
Intermediate Similarity | 0.7677 | NPC475990 |
Intermediate Similarity | 0.7677 | NPC221786 |
Intermediate Similarity | 0.7677 | NPC474880 |
Intermediate Similarity | 0.7674 | NPC302790 |
Intermediate Similarity | 0.7667 | NPC288838 |
Intermediate Similarity | 0.7655 | NPC218268 |
Intermediate Similarity | 0.7635 | NPC469766 |
Intermediate Similarity | 0.7632 | NPC53947 |
Intermediate Similarity | 0.7628 | NPC229173 |
Intermediate Similarity | 0.7625 | NPC201634 |
Intermediate Similarity | 0.7622 | NPC82295 |
Intermediate Similarity | 0.7619 | NPC312092 |
Intermediate Similarity | 0.7603 | NPC125746 |
Intermediate Similarity | 0.76 | NPC204141 |
Intermediate Similarity | 0.7584 | NPC190296 |
Intermediate Similarity | 0.7574 | NPC91958 |
Intermediate Similarity | 0.7571 | NPC166424 |
Intermediate Similarity | 0.7571 | NPC146373 |
Intermediate Similarity | 0.7571 | NPC245244 |
Intermediate Similarity | 0.7568 | NPC238499 |
Intermediate Similarity | 0.7568 | NPC279081 |
Intermediate Similarity | 0.7564 | NPC318065 |
Intermediate Similarity | 0.7564 | NPC206819 |
Intermediate Similarity | 0.755 | NPC478186 |
Intermediate Similarity | 0.7532 | NPC90723 |
Intermediate Similarity | 0.7532 | NPC478184 |
Intermediate Similarity | 0.75 | NPC470111 |
Intermediate Similarity | 0.75 | NPC236711 |
Intermediate Similarity | 0.7484 | NPC2165 |
Intermediate Similarity | 0.7484 | NPC195507 |
Intermediate Similarity | 0.7483 | NPC314372 |
Intermediate Similarity | 0.745 | NPC230002 |
Intermediate Similarity | 0.7434 | NPC143872 |
Intermediate Similarity | 0.7426 | NPC476566 |
Intermediate Similarity | 0.7419 | NPC138842 |
Intermediate Similarity | 0.741 | NPC48564 |
Intermediate Similarity | 0.741 | NPC182570 |
Intermediate Similarity | 0.741 | NPC265605 |
Intermediate Similarity | 0.7407 | NPC143156 |
Intermediate Similarity | 0.7405 | NPC122141 |
Intermediate Similarity | 0.7389 | NPC216643 |
Intermediate Similarity | 0.7389 | NPC286427 |
Intermediate Similarity | 0.7386 | NPC477134 |
Intermediate Similarity | 0.7386 | NPC471957 |
Intermediate Similarity | 0.7379 | NPC101165 |
Intermediate Similarity | 0.7376 | NPC27740 |
Intermediate Similarity | 0.7372 | NPC297486 |
Intermediate Similarity | 0.7372 | NPC471402 |
Intermediate Similarity | 0.7372 | NPC240136 |
Intermediate Similarity | 0.7368 | NPC469525 |
Intermediate Similarity | 0.7368 | NPC159856 |
Intermediate Similarity | 0.7346 | NPC474897 |
Intermediate Similarity | 0.7342 | NPC6436 |
Intermediate Similarity | 0.7342 | NPC293487 |
Intermediate Similarity | 0.7342 | NPC477591 |
Intermediate Similarity | 0.7342 | NPC41257 |
Intermediate Similarity | 0.7338 | NPC124005 |
Intermediate Similarity | 0.7325 | NPC51054 |
Intermediate Similarity | 0.7319 | NPC143603 |
Intermediate Similarity | 0.7317 | NPC329688 |
Intermediate Similarity | 0.7317 | NPC189812 |
Intermediate Similarity | 0.7317 | NPC297034 |
Intermediate Similarity | 0.7312 | NPC478182 |
Intermediate Similarity | 0.7312 | NPC271797 |
Intermediate Similarity | 0.7312 | NPC21174 |
Intermediate Similarity | 0.731 | NPC69914 |
Intermediate Similarity | 0.7308 | NPC161108 |
Intermediate Similarity | 0.7308 | NPC200214 |
Intermediate Similarity | 0.7303 | NPC242556 |
Intermediate Similarity | 0.7301 | NPC82331 |
Intermediate Similarity | 0.7296 | NPC470204 |
Intermediate Similarity | 0.7296 | NPC255229 |
Intermediate Similarity | 0.7296 | NPC81229 |
Intermediate Similarity | 0.729 | NPC24678 |
Intermediate Similarity | 0.729 | NPC105818 |
Intermediate Similarity | 0.729 | NPC148592 |
Intermediate Similarity | 0.7285 | NPC277157 |
Intermediate Similarity | 0.7273 | NPC280852 |
Intermediate Similarity | 0.7267 | NPC316811 |
Intermediate Similarity | 0.7267 | NPC315348 |
Intermediate Similarity | 0.7267 | NPC32002 |
Intermediate Similarity | 0.7261 | NPC38736 |
Intermediate Similarity | 0.7261 | NPC34844 |
Intermediate Similarity | 0.726 | NPC256893 |
Intermediate Similarity | 0.7255 | NPC285731 |
Intermediate Similarity | 0.7254 | NPC476322 |
Intermediate Similarity | 0.725 | NPC225018 |
Intermediate Similarity | 0.725 | NPC470203 |
Intermediate Similarity | 0.7244 | NPC470823 |
Intermediate Similarity | 0.7241 | NPC476131 |
Intermediate Similarity | 0.7239 | NPC194411 |
Intermediate Similarity | 0.7233 | NPC92796 |
Intermediate Similarity | 0.7233 | NPC135141 |
Intermediate Similarity | 0.7226 | NPC2272 |
Intermediate Similarity | 0.7226 | NPC37548 |
Intermediate Similarity | 0.7212 | NPC471579 |
Intermediate Similarity | 0.7197 | NPC25008 |
Intermediate Similarity | 0.7197 | NPC469760 |
Intermediate Similarity | 0.7197 | NPC469765 |
Intermediate Similarity | 0.7197 | NPC281094 |
Intermediate Similarity | 0.7197 | NPC259644 |
Intermediate Similarity | 0.7197 | NPC141926 |
Intermediate Similarity | 0.7197 | NPC73952 |
Intermediate Similarity | 0.7197 | NPC469786 |
Intermediate Similarity | 0.7197 | NPC469763 |
Intermediate Similarity | 0.7188 | NPC213774 |
Intermediate Similarity | 0.7174 | NPC192209 |
Intermediate Similarity | 0.7174 | NPC313449 |
Intermediate Similarity | 0.7172 | NPC89490 |
Intermediate Similarity | 0.717 | NPC129721 |
Intermediate Similarity | 0.716 | NPC274229 |
Intermediate Similarity | 0.7152 | NPC80597 |
Intermediate Similarity | 0.7152 | NPC211572 |
Intermediate Similarity | 0.7152 | NPC252572 |
Intermediate Similarity | 0.7152 | NPC70922 |
Intermediate Similarity | 0.7152 | NPC212376 |
Intermediate Similarity | 0.7152 | NPC75540 |
Intermediate Similarity | 0.7143 | NPC478185 |
Intermediate Similarity | 0.7143 | NPC194881 |
Intermediate Similarity | 0.7134 | NPC91895 |
Intermediate Similarity | 0.7134 | NPC216713 |
Intermediate Similarity | 0.7132 | NPC187036 |
Intermediate Similarity | 0.7132 | NPC296163 |
Intermediate Similarity | 0.7126 | NPC157583 |
Intermediate Similarity | 0.7126 | NPC237188 |
Intermediate Similarity | 0.7123 | NPC475105 |
Intermediate Similarity | 0.7123 | NPC329896 |
Intermediate Similarity | 0.7123 | NPC475090 |
Intermediate Similarity | 0.7117 | NPC56233 |
Intermediate Similarity | 0.7117 | NPC478183 |
Intermediate Similarity | 0.7115 | NPC288445 |
Intermediate Similarity | 0.7111 | NPC27802 |
Intermediate Similarity | 0.7108 | NPC275305 |
Intermediate Similarity | 0.7108 | NPC37423 |
Molecular Weight   | 224.12 |
ALogP   | -2.8414 |
MLogP   | 2.67 |
XLogP   | 2.301 |
HDA   | 2 |
HBD   | 2 |
Rotatable Bonds   | 3 |
TPSA   | 55.92 |
RO5 Violation   | 0 |