Drug ID:   | NPD3629 |
Drug Name:   | Dapiprazole Hydrochloride |
Molecular Formula:   | C19H27N5.ClH |
Canonical SMILES:   | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2.Cl |
Standard InCHI:   | InChI=1S/C19H27N5.ClH/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19;/h2-3,6-7H,4-5,8-15H2,1H3;1H |
Standard InCHIKey:   | ZIODNPFQZIHCOE-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 |
---|---|---|
Intermediate Similarity | 0.7222 | NPC476219 |
Intermediate Similarity | 0.7197 | NPC20144 |
Intermediate Similarity | 0.7101 | NPC164802 |
Intermediate Similarity | 0.7076 | NPC317054 |
Intermediate Similarity | 0.7037 | NPC40070 |
Intermediate Similarity | 0.7 | NPC204141 |
Remote Similarity | 0.6993 | NPC288232 |
Remote Similarity | 0.6923 | NPC195507 |
Remote Similarity | 0.6923 | NPC2165 |
Remote Similarity | 0.6909 | NPC476297 |
Remote Similarity | 0.6899 | NPC88097 |
Remote Similarity | 0.681 | NPC114209 |
Remote Similarity | 0.6807 | NPC120070 |
Remote Similarity | 0.6792 | NPC104483 |
Remote Similarity | 0.6752 | NPC198988 |
Remote Similarity | 0.6736 | NPC296163 |
Remote Similarity | 0.6707 | NPC21605 |
Remote Similarity | 0.6706 | NPC470203 |
Remote Similarity | 0.6667 | NPC291610 |
Remote Similarity | 0.6667 | NPC75999 |
Remote Similarity | 0.6667 | NPC192209 |
Remote Similarity | 0.6648 | NPC471609 |
Remote Similarity | 0.6647 | NPC470204 |
Remote Similarity | 0.6647 | NPC81229 |
Remote Similarity | 0.6647 | NPC255229 |
Remote Similarity | 0.6646 | NPC59084 |
Remote Similarity | 0.6605 | NPC473868 |
Remote Similarity | 0.6605 | NPC63157 |
Remote Similarity | 0.6604 | NPC325252 |
Remote Similarity | 0.66 | NPC475915 |
Remote Similarity | 0.6591 | NPC471579 |
Remote Similarity | 0.6588 | NPC474880 |
Remote Similarity | 0.6588 | NPC221786 |
Remote Similarity | 0.6588 | NPC475990 |
Remote Similarity | 0.6587 | NPC469975 |
Remote Similarity | 0.6562 | NPC251722 |
Remote Similarity | 0.6562 | NPC125746 |
Remote Similarity | 0.6562 | NPC150259 |
Remote Similarity | 0.6562 | NPC314102 |
Remote Similarity | 0.6556 | NPC265605 |
Remote Similarity | 0.6556 | NPC182570 |
Remote Similarity | 0.6556 | NPC48564 |
Remote Similarity | 0.6554 | NPC476566 |
Remote Similarity | 0.655 | NPC229173 |
Remote Similarity | 0.6543 | NPC2949 |
Remote Similarity | 0.6536 | NPC476322 |
Remote Similarity | 0.6536 | NPC52764 |
Remote Similarity | 0.6512 | NPC194881 |
Remote Similarity | 0.651 | NPC81561 |
Remote Similarity | 0.65 | NPC216159 |
Remote Similarity | 0.6474 | NPC247987 |
Remote Similarity | 0.6453 | NPC122141 |
Remote Similarity | 0.6452 | NPC476950 |
Remote Similarity | 0.6443 | NPC148140 |
Remote Similarity | 0.6443 | NPC313449 |
Remote Similarity | 0.6442 | NPC115611 |
Remote Similarity | 0.6433 | NPC476131 |
Remote Similarity | 0.6416 | NPC225018 |
Remote Similarity | 0.6407 | NPC470111 |
Remote Similarity | 0.6405 | NPC283130 |
Remote Similarity | 0.6405 | NPC328683 |
Remote Similarity | 0.6395 | NPC300238 |
Remote Similarity | 0.6395 | NPC187036 |
Remote Similarity | 0.6392 | NPC69914 |
Remote Similarity | 0.6391 | NPC470233 |
Remote Similarity | 0.6387 | NPC252794 |
Remote Similarity | 0.6386 | NPC470440 |
Remote Similarity | 0.6384 | NPC105758 |
Remote Similarity | 0.6384 | NPC476686 |
Remote Similarity | 0.6384 | NPC476688 |
Remote Similarity | 0.6379 | NPC271797 |
Remote Similarity | 0.6379 | NPC478182 |
Remote Similarity | 0.6379 | NPC21174 |
Remote Similarity | 0.6364 | NPC46358 |
Remote Similarity | 0.6364 | NPC278874 |
Remote Similarity | 0.6358 | NPC54102 |
Remote Similarity | 0.6358 | NPC162689 |
Remote Similarity | 0.6352 | NPC101165 |
Remote Similarity | 0.6347 | NPC143872 |
Remote Similarity | 0.6331 | NPC33421 |
Remote Similarity | 0.6328 | NPC474897 |
Remote Similarity | 0.6323 | NPC122718 |
Remote Similarity | 0.631 | NPC179787 |
Remote Similarity | 0.631 | NPC201380 |
Remote Similarity | 0.6304 | NPC476341 |
Remote Similarity | 0.6296 | NPC218268 |
Remote Similarity | 0.6291 | NPC240136 |
Remote Similarity | 0.6291 | NPC297486 |
Remote Similarity | 0.6291 | NPC471402 |
Remote Similarity | 0.6291 | NPC264580 |
Remote Similarity | 0.629 | NPC472289 |
Remote Similarity | 0.6289 | NPC22079 |
Remote Similarity | 0.6287 | NPC469525 |
Remote Similarity | 0.6284 | NPC314141 |
Remote Similarity | 0.628 | NPC110126 |
Remote Similarity | 0.628 | NPC73767 |
Remote Similarity | 0.6278 | NPC280852 |
Remote Similarity | 0.6278 | NPC472122 |
Remote Similarity | 0.6278 | NPC24594 |
Remote Similarity | 0.6275 | NPC215519 |
Remote Similarity | 0.6273 | NPC300299 |
Remote Similarity | 0.6272 | NPC321911 |
Remote Similarity | 0.6269 | NPC469308 |
Remote Similarity | 0.6266 | NPC9856 |
Remote Similarity | 0.6264 | NPC16659 |
Remote Similarity | 0.6257 | NPC325903 |
Remote Similarity | 0.6257 | NPC208060 |
Remote Similarity | 0.625 | NPC478186 |
Remote Similarity | 0.625 | NPC63545 |
Remote Similarity | 0.625 | NPC471322 |
Remote Similarity | 0.6243 | NPC129721 |
Remote Similarity | 0.6243 | NPC326575 |
Remote Similarity | 0.6242 | NPC238499 |
Remote Similarity | 0.6242 | NPC469768 |
Remote Similarity | 0.6242 | NPC469780 |
Remote Similarity | 0.6242 | NPC469783 |
Remote Similarity | 0.6242 | NPC284635 |
Remote Similarity | 0.6242 | NPC469767 |
Remote Similarity | 0.6242 | NPC469761 |
Remote Similarity | 0.6242 | NPC469784 |
Remote Similarity | 0.6242 | NPC469779 |
Remote Similarity | 0.623 | NPC307191 |
Remote Similarity | 0.623 | NPC477891 |
Remote Similarity | 0.6218 | NPC27740 |
Remote Similarity | 0.6215 | NPC56233 |
Remote Similarity | 0.6215 | NPC49217 |
Remote Similarity | 0.6213 | NPC469811 |
Remote Similarity | 0.6209 | NPC133261 |
Remote Similarity | 0.6209 | NPC265710 |
Remote Similarity | 0.6207 | NPC56765 |
Remote Similarity | 0.6207 | NPC293487 |
Remote Similarity | 0.6207 | NPC477591 |
Remote Similarity | 0.6205 | NPC469766 |
Remote Similarity | 0.6194 | NPC41174 |
Remote Similarity | 0.6194 | NPC329825 |
Remote Similarity | 0.6193 | NPC478184 |
Remote Similarity | 0.619 | NPC469735 |
Remote Similarity | 0.6183 | NPC135601 |
Remote Similarity | 0.6183 | NPC17273 |
Remote Similarity | 0.6183 | NPC141612 |
Remote Similarity | 0.618 | NPC317430 |
Remote Similarity | 0.6178 | NPC146373 |
Remote Similarity | 0.6178 | NPC245244 |
Remote Similarity | 0.6178 | NPC166424 |
Remote Similarity | 0.6176 | NPC282531 |
Remote Similarity | 0.6175 | NPC187827 |
Remote Similarity | 0.6175 | NPC15840 |
Remote Similarity | 0.6175 | NPC472105 |
Remote Similarity | 0.6167 | NPC161861 |
Remote Similarity | 0.6167 | NPC472123 |
Remote Similarity | 0.6164 | NPC226662 |
Remote Similarity | 0.6163 | NPC281094 |
Remote Similarity | 0.6162 | NPC108011 |
Remote Similarity | 0.6162 | NPC21429 |
Remote Similarity | 0.6159 | NPC84911 |
Remote Similarity | 0.6159 | NPC105127 |
Remote Similarity | 0.6149 | NPC475450 |
Remote Similarity | 0.6145 | NPC164664 |
Remote Similarity | 0.6144 | NPC91958 |
Remote Similarity | 0.614 | NPC206592 |
Remote Similarity | 0.6139 | NPC145754 |
Remote Similarity | 0.6135 | NPC471123 |
Remote Similarity | 0.6124 | NPC478183 |
Remote Similarity | 0.6114 | NPC6436 |
Remote Similarity | 0.6108 | NPC472104 |
Remote Similarity | 0.6108 | NPC143533 |
Remote Similarity | 0.6108 | NPC472109 |
Remote Similarity | 0.6108 | NPC472110 |
Remote Similarity | 0.6102 | NPC317105 |
Remote Similarity | 0.6098 | NPC29886 |
Remote Similarity | 0.6098 | NPC96102 |
Remote Similarity | 0.6098 | NPC261195 |
Remote Similarity | 0.6095 | NPC86288 |
Remote Similarity | 0.6092 | NPC51054 |
Remote Similarity | 0.6087 | NPC207428 |
Remote Similarity | 0.6087 | NPC282398 |
Remote Similarity | 0.6084 | NPC316811 |
Remote Similarity | 0.6084 | NPC32002 |
Remote Similarity | 0.6084 | NPC315348 |
Remote Similarity | 0.6075 | NPC258480 |
Remote Similarity | 0.6075 | NPC472119 |
Remote Similarity | 0.6069 | NPC232798 |
Remote Similarity | 0.6066 | NPC473380 |
Remote Similarity | 0.6066 | NPC240088 |
Remote Similarity | 0.6061 | NPC469560 |
Remote Similarity | 0.6057 | NPC236711 |
Remote Similarity | 0.6056 | NPC91895 |
Remote Similarity | 0.6054 | NPC144114 |
Remote Similarity | 0.6054 | NPC302790 |
Remote Similarity | 0.6051 | NPC290094 |
Remote Similarity | 0.6049 | NPC82295 |
Remote Similarity | 0.6047 | NPC53947 |
Remote Similarity | 0.6045 | NPC224632 |
Remote Similarity | 0.6045 | NPC478185 |
Remote Similarity | 0.6043 | NPC472107 |
Remote Similarity | 0.6043 | NPC79062 |
Remote Similarity | 0.604 | NPC27802 |
Remote Similarity | 0.6039 | NPC143603 |
Remote Similarity | 0.6038 | NPC250361 |
Remote Similarity | 0.6038 | NPC476140 |
Molecular Weight   | 325.23 |
ALogP   | -0.4008 |
MLogP   | 3 |
XLogP   | 3.72 |
HDA   | 5 |
HBD   | 0 |
Rotatable Bonds   | 5 |
TPSA   | 37.19 |
RO5 Violation   | 0 |