Drug ID:   | NPD174 |
Drug Name:   | VSF-173 |
Molecular Formula:   | C10H11N3 |
Canonical SMILES:   | Cc1nccn1Cc1ccccn1 |
Standard InCHI:   | InChI=1S/C10H11N3/c1-9-11-6-7-13(9)8-10-4-2-3-5-12-10/h2-7H,8H2,1H3 |
Standard InCHIKey:   | CTUICISGLKIJLG-UHFFFAOYSA-N |
Max Developmental Stage:   | Discontinued |
Max Developmental Stage Source:   | TTD |
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 |
---|---|---|
Intermediate Similarity | 0.8397 | NPC317054 |
Intermediate Similarity | 0.7986 | NPC216159 |
Intermediate Similarity | 0.7704 | NPC84268 |
Intermediate Similarity | 0.7634 | NPC231655 |
Intermediate Similarity | 0.7564 | NPC120070 |
Intermediate Similarity | 0.7376 | NPC265605 |
Intermediate Similarity | 0.7376 | NPC182570 |
Intermediate Similarity | 0.7376 | NPC48564 |
Intermediate Similarity | 0.7375 | NPC470204 |
Intermediate Similarity | 0.7355 | NPC114209 |
Intermediate Similarity | 0.7329 | NPC470203 |
Intermediate Similarity | 0.7329 | NPC253687 |
Intermediate Similarity | 0.732 | NPC42483 |
Intermediate Similarity | 0.7312 | NPC300238 |
Intermediate Similarity | 0.7244 | NPC470111 |
Intermediate Similarity | 0.7244 | NPC201380 |
Intermediate Similarity | 0.7244 | NPC179787 |
Intermediate Similarity | 0.7197 | NPC321911 |
Intermediate Similarity | 0.7197 | NPC282531 |
Intermediate Similarity | 0.7179 | NPC63545 |
Intermediate Similarity | 0.7176 | NPC83987 |
Intermediate Similarity | 0.7167 | NPC469308 |
Intermediate Similarity | 0.716 | NPC122141 |
Intermediate Similarity | 0.7134 | NPC469811 |
Intermediate Similarity | 0.7125 | NPC476219 |
Intermediate Similarity | 0.7125 | NPC476297 |
Intermediate Similarity | 0.7117 | NPC225018 |
Intermediate Similarity | 0.7099 | NPC477591 |
Intermediate Similarity | 0.708 | NPC27802 |
Intermediate Similarity | 0.7044 | NPC40070 |
Intermediate Similarity | 0.7029 | NPC472289 |
Intermediate Similarity | 0.7007 | NPC75999 |
Intermediate Similarity | 0.7 | NPC143156 |
Remote Similarity | 0.6994 | NPC293487 |
Remote Similarity | 0.6993 | NPC150259 |
Remote Similarity | 0.6986 | NPC27740 |
Remote Similarity | 0.6986 | NPC476322 |
Remote Similarity | 0.6985 | NPC76540 |
Remote Similarity | 0.6972 | NPC240136 |
Remote Similarity | 0.6972 | NPC297486 |
Remote Similarity | 0.6972 | NPC471402 |
Remote Similarity | 0.697 | NPC478182 |
Remote Similarity | 0.6957 | NPC325903 |
Remote Similarity | 0.6933 | NPC236711 |
Remote Similarity | 0.6923 | NPC197068 |
Remote Similarity | 0.6918 | NPC46358 |
Remote Similarity | 0.6894 | NPC213774 |
Remote Similarity | 0.6887 | NPC471322 |
Remote Similarity | 0.6867 | NPC478184 |
Remote Similarity | 0.6807 | NPC478185 |
Remote Similarity | 0.6806 | NPC91958 |
Remote Similarity | 0.6805 | NPC91895 |
Remote Similarity | 0.6795 | NPC73767 |
Remote Similarity | 0.6795 | NPC110126 |
Remote Similarity | 0.679 | NPC469975 |
Remote Similarity | 0.679 | NPC472260 |
Remote Similarity | 0.6786 | NPC56233 |
Remote Similarity | 0.6786 | NPC478183 |
Remote Similarity | 0.6782 | NPC307191 |
Remote Similarity | 0.6776 | NPC101165 |
Remote Similarity | 0.6774 | NPC314102 |
Remote Similarity | 0.6774 | NPC251722 |
Remote Similarity | 0.6774 | NPC84911 |
Remote Similarity | 0.6755 | NPC476131 |
Remote Similarity | 0.675 | NPC143872 |
Remote Similarity | 0.6743 | NPC471609 |
Remote Similarity | 0.6738 | NPC235843 |
Remote Similarity | 0.6711 | NPC69914 |
Remote Similarity | 0.671 | NPC261195 |
Remote Similarity | 0.671 | NPC96102 |
Remote Similarity | 0.671 | NPC29886 |
Remote Similarity | 0.6706 | NPC32534 |
Remote Similarity | 0.6705 | NPC108011 |
Remote Similarity | 0.6702 | NPC471603 |
Remote Similarity | 0.669 | NPC473901 |
Remote Similarity | 0.669 | NPC143603 |
Remote Similarity | 0.6689 | NPC290094 |
Remote Similarity | 0.6688 | NPC32002 |
Remote Similarity | 0.6688 | NPC315348 |
Remote Similarity | 0.6688 | NPC316811 |
Remote Similarity | 0.6687 | NPC470233 |
Remote Similarity | 0.6687 | NPC204141 |
Remote Similarity | 0.6686 | NPC49217 |
Remote Similarity | 0.6667 | NPC82295 |
Remote Similarity | 0.6667 | NPC476566 |
Remote Similarity | 0.6667 | NPC256893 |
Remote Similarity | 0.6667 | NPC20144 |
Remote Similarity | 0.6667 | NPC265710 |
Remote Similarity | 0.6667 | NPC65408 |
Remote Similarity | 0.6667 | NPC116555 |
Remote Similarity | 0.6667 | NPC317105 |
Remote Similarity | 0.6667 | NPC105127 |
Remote Similarity | 0.6667 | NPC82331 |
Remote Similarity | 0.6646 | NPC469767 |
Remote Similarity | 0.6646 | NPC115611 |
Remote Similarity | 0.6646 | NPC469761 |
Remote Similarity | 0.6646 | NPC469784 |
Remote Similarity | 0.6646 | NPC469783 |
Remote Similarity | 0.6646 | NPC469768 |
Remote Similarity | 0.6646 | NPC469779 |
Remote Similarity | 0.6646 | NPC469780 |
Remote Similarity | 0.6645 | NPC198988 |
Remote Similarity | 0.6629 | NPC16659 |
Remote Similarity | 0.6627 | NPC274229 |
Remote Similarity | 0.6609 | NPC473380 |
Remote Similarity | 0.6609 | NPC240088 |
Remote Similarity | 0.6604 | NPC469766 |
Remote Similarity | 0.6601 | NPC282398 |
Remote Similarity | 0.66 | NPC146373 |
Remote Similarity | 0.66 | NPC245244 |
Remote Similarity | 0.66 | NPC166424 |
Remote Similarity | 0.6571 | NPC12649 |
Remote Similarity | 0.6562 | NPC190296 |
Remote Similarity | 0.6561 | NPC472288 |
Remote Similarity | 0.6556 | NPC169625 |
Remote Similarity | 0.6556 | NPC202957 |
Remote Similarity | 0.6556 | NPC135488 |
Remote Similarity | 0.6552 | NPC280852 |
Remote Similarity | 0.6548 | NPC25899 |
Remote Similarity | 0.6541 | NPC279081 |
Remote Similarity | 0.6536 | NPC71236 |
Remote Similarity | 0.6534 | NPC314281 |
Remote Similarity | 0.6534 | NPC40530 |
Remote Similarity | 0.6527 | NPC124276 |
Remote Similarity | 0.6527 | NPC129721 |
Remote Similarity | 0.6513 | NPC471313 |
Remote Similarity | 0.6513 | NPC471311 |
Remote Similarity | 0.6512 | NPC97343 |
Remote Similarity | 0.651 | NPC329825 |
Remote Similarity | 0.6497 | NPC328029 |
Remote Similarity | 0.6497 | NPC325252 |
Remote Similarity | 0.6481 | NPC86288 |
Remote Similarity | 0.6481 | NPC285731 |
Remote Similarity | 0.6481 | NPC314372 |
Remote Similarity | 0.6478 | NPC104483 |
Remote Similarity | 0.6471 | NPC187191 |
Remote Similarity | 0.6471 | NPC89490 |
Remote Similarity | 0.6471 | NPC313823 |
Remote Similarity | 0.6471 | NPC326248 |
Remote Similarity | 0.6457 | NPC474958 |
Remote Similarity | 0.6456 | NPC125746 |
Remote Similarity | 0.6452 | NPC324611 |
Remote Similarity | 0.6442 | NPC288838 |
Remote Similarity | 0.6442 | NPC478186 |
Remote Similarity | 0.6441 | NPC24864 |
Remote Similarity | 0.6438 | NPC230002 |
Remote Similarity | 0.6437 | NPC314557 |
Remote Similarity | 0.6433 | NPC195507 |
Remote Similarity | 0.6433 | NPC2165 |
Remote Similarity | 0.6429 | NPC329896 |
Remote Similarity | 0.6429 | NPC475105 |
Remote Similarity | 0.6429 | NPC475090 |
Remote Similarity | 0.6424 | NPC53947 |
Remote Similarity | 0.6419 | NPC11863 |
Remote Similarity | 0.6415 | NPC169433 |
Remote Similarity | 0.6415 | NPC104049 |
Remote Similarity | 0.6412 | NPC48192 |
Remote Similarity | 0.6402 | NPC471957 |
Remote Similarity | 0.64 | NPC471579 |
Remote Similarity | 0.64 | NPC56856 |
Remote Similarity | 0.6396 | NPC267811 |
Remote Similarity | 0.6391 | NPC56765 |
Remote Similarity | 0.6389 | NPC476341 |
Remote Similarity | 0.638 | NPC159856 |
Remote Similarity | 0.6379 | NPC54214 |
Remote Similarity | 0.6375 | NPC88097 |
Remote Similarity | 0.6364 | NPC315715 |
Remote Similarity | 0.6355 | NPC107160 |
Remote Similarity | 0.6353 | NPC215584 |
Remote Similarity | 0.6353 | NPC44773 |
Remote Similarity | 0.6347 | NPC200214 |
Remote Similarity | 0.6335 | NPC284635 |
Remote Similarity | 0.6327 | NPC282247 |
Remote Similarity | 0.6327 | NPC148140 |
Remote Similarity | 0.6325 | NPC24678 |
Remote Similarity | 0.6325 | NPC105818 |
Remote Similarity | 0.6322 | NPC164664 |
Remote Similarity | 0.6322 | NPC476518 |
Remote Similarity | 0.6313 | NPC191415 |
Remote Similarity | 0.631 | NPC34844 |
Remote Similarity | 0.6304 | NPC273327 |
Remote Similarity | 0.6299 | NPC212125 |
Remote Similarity | 0.6296 | NPC476454 |
Remote Similarity | 0.6287 | NPC470823 |
Remote Similarity | 0.6286 | NPC14651 |
Remote Similarity | 0.6286 | NPC121658 |
Remote Similarity | 0.6284 | NPC81561 |
Remote Similarity | 0.628 | NPC470440 |
Remote Similarity | 0.6279 | NPC90723 |
Remote Similarity | 0.6272 | NPC51054 |
Remote Similarity | 0.6264 | NPC278874 |
Remote Similarity | 0.626 | NPC14223 |
Remote Similarity | 0.6257 | NPC73994 |
Remote Similarity | 0.625 | NPC73952 |
Remote Similarity | 0.625 | NPC469765 |
Remote Similarity | 0.625 | NPC111624 |
Remote Similarity | 0.625 | NPC138842 |
Remote Similarity | 0.625 | NPC259644 |
Remote Similarity | 0.625 | NPC469763 |
Remote Similarity | 0.625 | NPC469786 |
TTD   | DIB004298 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 173.10 |
ALogP   | 0.0761 |
MLogP   | 2.23 |
XLogP   | 1.926 |
HDA   | 3 |
HBD   | 0 |
Rotatable Bonds   | 3 |
TPSA   | 30.71 |
RO5 Violation   | 0 |