Drug ID:   | NPD477 |
Drug Name:   | desoxypeganine, HF Arzneimittelforschung |
Molecular Formula:   | C11H12N2 |
Canonical SMILES:   | C1CC2=Nc3c(CN2C1)cccc3 |
Standard InCHI:   | InChI=1S/C11H12N2/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10/h1-2,4-5H,3,6-8H2 |
Standard InCHIKey:   | WUFQLZTXIWKION-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 1 |
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 |
---|---|---|
High Similarity | 1.0 | NPC164802 |
High Similarity | 0.8696 | NPC328683 |
High Similarity | 0.8696 | NPC283130 |
Intermediate Similarity | 0.8482 | NPC288232 |
Intermediate Similarity | 0.8264 | NPC226662 |
Intermediate Similarity | 0.813 | NPC207428 |
Intermediate Similarity | 0.7826 | NPC296163 |
Intermediate Similarity | 0.7672 | NPC314141 |
Intermediate Similarity | 0.7672 | NPC187036 |
Intermediate Similarity | 0.7563 | NPC192209 |
Intermediate Similarity | 0.7417 | NPC313449 |
Intermediate Similarity | 0.7385 | NPC300299 |
Intermediate Similarity | 0.7358 | NPC78154 |
Intermediate Similarity | 0.7355 | NPC264580 |
Intermediate Similarity | 0.7353 | NPC324445 |
Intermediate Similarity | 0.7321 | NPC291610 |
Intermediate Similarity | 0.7244 | NPC476950 |
Intermediate Similarity | 0.7164 | NPC207554 |
Intermediate Similarity | 0.709 | NPC125746 |
Intermediate Similarity | 0.7 | NPC7067 |
Intermediate Similarity | 0.7 | NPC469330 |
Remote Similarity | 0.6949 | NPC302790 |
Remote Similarity | 0.6916 | NPC262295 |
Remote Similarity | 0.6897 | NPC469974 |
Remote Similarity | 0.6894 | NPC22079 |
Remote Similarity | 0.687 | NPC9856 |
Remote Similarity | 0.6861 | NPC2823 |
Remote Similarity | 0.6847 | NPC322040 |
Remote Similarity | 0.6846 | NPC478079 |
Remote Similarity | 0.6838 | NPC83214 |
Remote Similarity | 0.6814 | NPC472258 |
Remote Similarity | 0.681 | NPC178681 |
Remote Similarity | 0.6786 | NPC108339 |
Remote Similarity | 0.6774 | NPC313673 |
Remote Similarity | 0.6772 | NPC475915 |
Remote Similarity | 0.6748 | NPC205652 |
Remote Similarity | 0.6739 | NPC471574 |
Remote Similarity | 0.6733 | NPC98976 |
Remote Similarity | 0.6719 | NPC48564 |
Remote Similarity | 0.6719 | NPC265605 |
Remote Similarity | 0.6719 | NPC182570 |
Remote Similarity | 0.6697 | NPC111233 |
Remote Similarity | 0.6691 | NPC198988 |
Remote Similarity | 0.669 | NPC143872 |
Remote Similarity | 0.6667 | NPC184437 |
Remote Similarity | 0.6667 | NPC474430 |
Remote Similarity | 0.6667 | NPC271642 |
Remote Similarity | 0.6642 | NPC122553 |
Remote Similarity | 0.6642 | NPC476687 |
Remote Similarity | 0.6642 | NPC476689 |
Remote Similarity | 0.6642 | NPC476685 |
Remote Similarity | 0.662 | NPC204141 |
Remote Similarity | 0.6607 | NPC108800 |
Remote Similarity | 0.6599 | NPC84317 |
Remote Similarity | 0.6596 | NPC20144 |
Remote Similarity | 0.6596 | NPC136002 |
Remote Similarity | 0.6593 | NPC101165 |
Remote Similarity | 0.6591 | NPC145754 |
Remote Similarity | 0.6587 | NPC148140 |
Remote Similarity | 0.6579 | NPC471320 |
Remote Similarity | 0.6579 | NPC471319 |
Remote Similarity | 0.6577 | NPC476160 |
Remote Similarity | 0.6577 | NPC191444 |
Remote Similarity | 0.6575 | NPC295021 |
Remote Similarity | 0.6571 | NPC59084 |
Remote Similarity | 0.6571 | NPC238499 |
Remote Similarity | 0.6542 | NPC15839 |
Remote Similarity | 0.6542 | NPC104070 |
Remote Similarity | 0.6538 | NPC41174 |
Remote Similarity | 0.6535 | NPC81561 |
Remote Similarity | 0.6525 | NPC63157 |
Remote Similarity | 0.6525 | NPC473868 |
Remote Similarity | 0.6522 | NPC325252 |
Remote Similarity | 0.651 | NPC154478 |
Remote Similarity | 0.6509 | NPC307456 |
Remote Similarity | 0.6503 | NPC469735 |
Remote Similarity | 0.65 | NPC110126 |
Remote Similarity | 0.65 | NPC104483 |
Remote Similarity | 0.65 | NPC88097 |
Remote Similarity | 0.6489 | NPC46358 |
Remote Similarity | 0.6486 | NPC176858 |
Remote Similarity | 0.6484 | NPC162689 |
Remote Similarity | 0.6484 | NPC177684 |
Remote Similarity | 0.6484 | NPC291962 |
Remote Similarity | 0.6484 | NPC54102 |
Remote Similarity | 0.648 | NPC470550 |
Remote Similarity | 0.6475 | NPC150259 |
Remote Similarity | 0.6475 | NPC105127 |
Remote Similarity | 0.6466 | NPC250361 |
Remote Similarity | 0.6463 | NPC232798 |
Remote Similarity | 0.6463 | NPC471132 |
Remote Similarity | 0.6458 | NPC469740 |
Remote Similarity | 0.6454 | NPC2949 |
Remote Similarity | 0.6446 | NPC79618 |
Remote Similarity | 0.6439 | NPC27740 |
Remote Similarity | 0.6434 | NPC161956 |
Remote Similarity | 0.6434 | NPC317564 |
Remote Similarity | 0.6434 | NPC112373 |
Remote Similarity | 0.6434 | NPC258531 |
Remote Similarity | 0.6429 | NPC243162 |
Remote Similarity | 0.6403 | NPC218268 |
Remote Similarity | 0.6403 | NPC96102 |
Remote Similarity | 0.6396 | NPC30445 |
Remote Similarity | 0.6385 | NPC215519 |
Remote Similarity | 0.6385 | NPC257490 |
Remote Similarity | 0.6383 | NPC73767 |
Remote Similarity | 0.6381 | NPC12857 |
Remote Similarity | 0.6378 | NPC147957 |
Remote Similarity | 0.637 | NPC473762 |
Remote Similarity | 0.6357 | NPC84911 |
Remote Similarity | 0.6355 | NPC231986 |
Remote Similarity | 0.635 | NPC82295 |
Remote Similarity | 0.6339 | NPC173991 |
Remote Similarity | 0.6338 | NPC115611 |
Remote Similarity | 0.6333 | NPC275467 |
Remote Similarity | 0.633 | NPC169016 |
Remote Similarity | 0.6328 | NPC476566 |
Remote Similarity | 0.6325 | NPC317642 |
Remote Similarity | 0.6324 | NPC473587 |
Remote Similarity | 0.6316 | NPC88970 |
Remote Similarity | 0.6312 | NPC130251 |
Remote Similarity | 0.6311 | NPC299134 |
Remote Similarity | 0.6311 | NPC66775 |
Remote Similarity | 0.6301 | NPC21605 |
Remote Similarity | 0.6294 | NPC277157 |
Remote Similarity | 0.6286 | NPC261195 |
Remote Similarity | 0.6286 | NPC29886 |
Remote Similarity | 0.6284 | NPC117032 |
Remote Similarity | 0.6277 | NPC53044 |
Remote Similarity | 0.6277 | NPC475428 |
Remote Similarity | 0.6276 | NPC470440 |
Remote Similarity | 0.6273 | NPC229477 |
Remote Similarity | 0.6269 | NPC252794 |
Remote Similarity | 0.6268 | NPC186284 |
Remote Similarity | 0.6268 | NPC22082 |
Remote Similarity | 0.6268 | NPC301760 |
Remote Similarity | 0.6261 | NPC476483 |
Remote Similarity | 0.626 | NPC77294 |
Remote Similarity | 0.625 | NPC122141 |
Remote Similarity | 0.625 | NPC187231 |
Remote Similarity | 0.6242 | NPC281094 |
Remote Similarity | 0.6241 | NPC314102 |
Remote Similarity | 0.6241 | NPC251722 |
Remote Similarity | 0.6239 | NPC134825 |
Remote Similarity | 0.6234 | NPC471130 |
Remote Similarity | 0.6232 | NPC475450 |
Remote Similarity | 0.6232 | NPC179365 |
Remote Similarity | 0.6231 | NPC91958 |
Remote Similarity | 0.6228 | NPC470926 |
Remote Similarity | 0.6228 | NPC226438 |
Remote Similarity | 0.6224 | NPC469767 |
Remote Similarity | 0.6224 | NPC469761 |
Remote Similarity | 0.6224 | NPC469779 |
Remote Similarity | 0.6224 | NPC469784 |
Remote Similarity | 0.6224 | NPC469768 |
Remote Similarity | 0.6224 | NPC469780 |
Remote Similarity | 0.6224 | NPC279081 |
Remote Similarity | 0.6224 | NPC469783 |
Remote Similarity | 0.6216 | NPC258046 |
Remote Similarity | 0.6216 | NPC206592 |
Remote Similarity | 0.6216 | NPC148592 |
Remote Similarity | 0.6216 | NPC40070 |
Remote Similarity | 0.6214 | NPC325599 |
Remote Similarity | 0.6214 | NPC471123 |
Remote Similarity | 0.6209 | NPC225018 |
Remote Similarity | 0.62 | NPC476297 |
Remote Similarity | 0.62 | NPC476219 |
Remote Similarity | 0.6194 | NPC122718 |
Remote Similarity | 0.619 | NPC321617 |
Remote Similarity | 0.619 | NPC114209 |
Remote Similarity | 0.6187 | NPC316104 |
Remote Similarity | 0.6187 | NPC313352 |
Remote Similarity | 0.6187 | NPC162417 |
Remote Similarity | 0.6187 | NPC473930 |
Remote Similarity | 0.6181 | NPC469766 |
Remote Similarity | 0.6179 | NPC434 |
Remote Similarity | 0.6179 | NPC37584 |
Remote Similarity | 0.6164 | NPC285731 |
Remote Similarity | 0.6159 | NPC51054 |
Remote Similarity | 0.6159 | NPC282398 |
Remote Similarity | 0.6154 | NPC240136 |
Remote Similarity | 0.6154 | NPC471402 |
Remote Similarity | 0.6154 | NPC471164 |
Remote Similarity | 0.6154 | NPC297486 |
Remote Similarity | 0.6149 | NPC37548 |
Remote Similarity | 0.6148 | NPC250476 |
Remote Similarity | 0.6148 | NPC146373 |
Remote Similarity | 0.6148 | NPC245244 |
Remote Similarity | 0.6148 | NPC166424 |
Remote Similarity | 0.6144 | NPC68650 |
Remote Similarity | 0.6144 | NPC470204 |
Remote Similarity | 0.6138 | NPC190296 |
Remote Similarity | 0.6135 | NPC21429 |
Remote Similarity | 0.6134 | NPC323726 |
Remote Similarity | 0.6129 | NPC17751 |
Remote Similarity | 0.6129 | NPC280864 |
Remote Similarity | 0.6127 | NPC469560 |
Remote Similarity | 0.6122 | NPC478186 |
Remote Similarity | 0.6122 | NPC288838 |
Remote Similarity | 0.6122 | NPC63545 |
TTD   | DIB004852 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 172.10 |
ALogP   | -0.7066 |
MLogP   | 2.45 |
XLogP   | 3.032 |
HDA   | 2 |
HBD   | 0 |
Rotatable Bonds   | 0 |
TPSA   | 15.6 |
RO5 Violation   | 0 |