Drug ID:   | NPD710 |
Drug Name:   | |
Molecular Formula:   | C12H11NO3 |
Canonical SMILES:   | O=N(=O)c1cc2c(o1)c1CCCCc1cc2 |
Standard InCHI:   | InChI=1S/C12H11NO3/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h5-7H,1-4H2 |
Standard InCHIKey:   | DZLOYALXDCQGTA-UHFFFAOYSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
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 | 0.7407 | NPC233707 |
Intermediate Similarity | 0.7382 | NPC38961 |
Intermediate Similarity | 0.7375 | NPC209858 |
Intermediate Similarity | 0.7375 | NPC324117 |
Intermediate Similarity | 0.7303 | NPC246214 |
Intermediate Similarity | 0.7268 | NPC46679 |
Intermediate Similarity | 0.7245 | NPC186569 |
Intermediate Similarity | 0.7245 | NPC61731 |
Intermediate Similarity | 0.7231 | NPC171882 |
Intermediate Similarity | 0.7231 | NPC85661 |
Intermediate Similarity | 0.7231 | NPC121510 |
Intermediate Similarity | 0.7188 | NPC279596 |
Intermediate Similarity | 0.7172 | NPC124658 |
Intermediate Similarity | 0.7172 | NPC227361 |
Intermediate Similarity | 0.7143 | NPC290038 |
Intermediate Similarity | 0.7083 | NPC158871 |
Intermediate Similarity | 0.7037 | NPC183103 |
Intermediate Similarity | 0.7035 | NPC91234 |
Intermediate Similarity | 0.7012 | NPC217914 |
Intermediate Similarity | 0.7005 | NPC90185 |
Remote Similarity | 0.6995 | NPC256422 |
Remote Similarity | 0.6994 | NPC470406 |
Remote Similarity | 0.6994 | NPC13282 |
Remote Similarity | 0.6982 | NPC117674 |
Remote Similarity | 0.6981 | NPC474737 |
Remote Similarity | 0.6977 | NPC95526 |
Remote Similarity | 0.6965 | NPC290227 |
Remote Similarity | 0.6963 | NPC308895 |
Remote Similarity | 0.6957 | NPC57552 |
Remote Similarity | 0.6946 | NPC112757 |
Remote Similarity | 0.6941 | NPC93241 |
Remote Similarity | 0.6941 | NPC27798 |
Remote Similarity | 0.6936 | NPC472298 |
Remote Similarity | 0.6931 | NPC240684 |
Remote Similarity | 0.6919 | NPC150215 |
Remote Similarity | 0.6903 | NPC137710 |
Remote Similarity | 0.6894 | NPC50583 |
Remote Similarity | 0.6886 | NPC265181 |
Remote Similarity | 0.6886 | NPC62735 |
Remote Similarity | 0.6875 | NPC470023 |
Remote Similarity | 0.6867 | NPC471316 |
Remote Similarity | 0.6867 | NPC163029 |
Remote Similarity | 0.686 | NPC281398 |
Remote Similarity | 0.6855 | NPC107846 |
Remote Similarity | 0.6848 | NPC1249 |
Remote Similarity | 0.6848 | NPC274876 |
Remote Similarity | 0.6842 | NPC308006 |
Remote Similarity | 0.6839 | NPC470021 |
Remote Similarity | 0.6839 | NPC206007 |
Remote Similarity | 0.6832 | NPC428300 |
Remote Similarity | 0.6828 | NPC99723 |
Remote Similarity | 0.6826 | NPC186647 |
Remote Similarity | 0.6826 | NPC160747 |
Remote Similarity | 0.6821 | NPC252208 |
Remote Similarity | 0.6818 | NPC10429 |
Remote Similarity | 0.6818 | NPC44606 |
Remote Similarity | 0.6818 | NPC24232 |
Remote Similarity | 0.6802 | NPC478166 |
Remote Similarity | 0.6795 | NPC35744 |
Remote Similarity | 0.6792 | NPC141252 |
Remote Similarity | 0.6792 | NPC182646 |
Remote Similarity | 0.6792 | NPC11799 |
Remote Similarity | 0.679 | NPC59502 |
Remote Similarity | 0.6789 | NPC45389 |
Remote Similarity | 0.6774 | NPC288305 |
Remote Similarity | 0.677 | NPC177925 |
Remote Similarity | 0.6768 | NPC164295 |
Remote Similarity | 0.6768 | NPC301717 |
Remote Similarity | 0.6768 | NPC239134 |
Remote Similarity | 0.6761 | NPC149085 |
Remote Similarity | 0.676 | NPC212967 |
Remote Similarity | 0.676 | NPC164110 |
Remote Similarity | 0.676 | NPC96342 |
Remote Similarity | 0.676 | NPC246647 |
Remote Similarity | 0.675 | NPC100573 |
Remote Similarity | 0.675 | NPC56332 |
Remote Similarity | 0.675 | NPC207873 |
Remote Similarity | 0.6747 | NPC265793 |
Remote Similarity | 0.6746 | NPC470407 |
Remote Similarity | 0.6743 | NPC226578 |
Remote Similarity | 0.6742 | NPC93653 |
Remote Similarity | 0.6731 | NPC171023 |
Remote Similarity | 0.6731 | NPC32298 |
Remote Similarity | 0.6726 | NPC130976 |
Remote Similarity | 0.6708 | NPC470858 |
Remote Similarity | 0.6705 | NPC144010 |
Remote Similarity | 0.6704 | NPC180924 |
Remote Similarity | 0.6703 | NPC473196 |
Remote Similarity | 0.67 | NPC308943 |
Remote Similarity | 0.67 | NPC222561 |
Remote Similarity | 0.6688 | NPC54243 |
Remote Similarity | 0.6686 | NPC472840 |
Remote Similarity | 0.6686 | NPC472839 |
Remote Similarity | 0.6685 | NPC84721 |
Remote Similarity | 0.6685 | NPC235333 |
Remote Similarity | 0.6685 | NPC290927 |
Remote Similarity | 0.6667 | NPC123153 |
Remote Similarity | 0.6667 | NPC470019 |
Remote Similarity | 0.6667 | NPC64157 |
Remote Similarity | 0.6667 | NPC314329 |
Remote Similarity | 0.6667 | NPC474264 |
Remote Similarity | 0.6667 | NPC145830 |
Remote Similarity | 0.6667 | NPC258249 |
Remote Similarity | 0.6667 | NPC324488 |
Remote Similarity | 0.6667 | NPC307401 |
Remote Similarity | 0.6667 | NPC278832 |
Remote Similarity | 0.6648 | NPC213936 |
Remote Similarity | 0.6648 | NPC148938 |
Remote Similarity | 0.6648 | NPC472837 |
Remote Similarity | 0.6648 | NPC24761 |
Remote Similarity | 0.6648 | NPC297531 |
Remote Similarity | 0.6647 | NPC189650 |
Remote Similarity | 0.6647 | NPC476191 |
Remote Similarity | 0.6647 | NPC1268 |
Remote Similarity | 0.6647 | NPC245522 |
Remote Similarity | 0.6647 | NPC114513 |
Remote Similarity | 0.6634 | NPC55470 |
Remote Similarity | 0.6633 | NPC112937 |
Remote Similarity | 0.663 | NPC472299 |
Remote Similarity | 0.6629 | NPC478163 |
Remote Similarity | 0.6628 | NPC69755 |
Remote Similarity | 0.6628 | NPC27220 |
Remote Similarity | 0.6626 | NPC45537 |
Remote Similarity | 0.6626 | NPC298884 |
Remote Similarity | 0.6607 | NPC106606 |
Remote Similarity | 0.6606 | NPC278787 |
Remote Similarity | 0.6605 | NPC224657 |
Remote Similarity | 0.6603 | NPC316062 |
Remote Similarity | 0.6598 | NPC254957 |
Remote Similarity | 0.6592 | NPC179170 |
Remote Similarity | 0.6591 | NPC474107 |
Remote Similarity | 0.6588 | NPC202260 |
Remote Similarity | 0.6587 | NPC477536 |
Remote Similarity | 0.6585 | NPC125887 |
Remote Similarity | 0.6584 | NPC178382 |
Remote Similarity | 0.6582 | NPC201284 |
Remote Similarity | 0.6575 | NPC268360 |
Remote Similarity | 0.6573 | NPC23668 |
Remote Similarity | 0.6573 | NPC115324 |
Remote Similarity | 0.6573 | NPC193976 |
Remote Similarity | 0.6571 | NPC471346 |
Remote Similarity | 0.6571 | NPC473927 |
Remote Similarity | 0.657 | NPC149780 |
Remote Similarity | 0.657 | NPC124365 |
Remote Similarity | 0.6568 | NPC471670 |
Remote Similarity | 0.6568 | NPC141934 |
Remote Similarity | 0.6568 | NPC232996 |
Remote Similarity | 0.6566 | NPC141549 |
Remote Similarity | 0.6566 | NPC477412 |
Remote Similarity | 0.6564 | NPC237868 |
Remote Similarity | 0.6564 | NPC141059 |
Remote Similarity | 0.6557 | NPC269117 |
Remote Similarity | 0.6556 | NPC478161 |
Remote Similarity | 0.6556 | NPC478159 |
Remote Similarity | 0.6554 | NPC70764 |
Remote Similarity | 0.6552 | NPC469385 |
Remote Similarity | 0.6552 | NPC472836 |
Remote Similarity | 0.6552 | NPC225884 |
Remote Similarity | 0.6552 | NPC17262 |
Remote Similarity | 0.6552 | NPC471305 |
Remote Similarity | 0.6545 | NPC66246 |
Remote Similarity | 0.6545 | NPC170546 |
Remote Similarity | 0.6545 | NPC939 |
Remote Similarity | 0.6543 | NPC111088 |
Remote Similarity | 0.6543 | NPC75432 |
Remote Similarity | 0.6541 | NPC41689 |
Remote Similarity | 0.6541 | NPC232958 |
Remote Similarity | 0.6538 | NPC226287 |
Remote Similarity | 0.6538 | NPC153631 |
Remote Similarity | 0.6536 | NPC142308 |
Remote Similarity | 0.6536 | NPC207624 |
Remote Similarity | 0.6536 | NPC27615 |
Remote Similarity | 0.6534 | NPC123202 |
Remote Similarity | 0.6534 | NPC71055 |
Remote Similarity | 0.6534 | NPC22005 |
Remote Similarity | 0.6534 | NPC7943 |
Remote Similarity | 0.6532 | NPC254010 |
Remote Similarity | 0.6529 | NPC290601 |
Remote Similarity | 0.6529 | NPC477534 |
Remote Similarity | 0.6529 | NPC29638 |
Remote Similarity | 0.6529 | NPC471542 |
Remote Similarity | 0.6527 | NPC266425 |
Remote Similarity | 0.6519 | NPC221992 |
Remote Similarity | 0.6517 | NPC78335 |
Remote Similarity | 0.6517 | NPC230713 |
Remote Similarity | 0.6517 | NPC167576 |
Remote Similarity | 0.6514 | NPC155144 |
Remote Similarity | 0.6514 | NPC98926 |
Remote Similarity | 0.6512 | NPC262635 |
Remote Similarity | 0.6512 | NPC473499 |
Remote Similarity | 0.6509 | NPC22644 |
Remote Similarity | 0.6506 | NPC7569 |
Remote Similarity | 0.6506 | NPC183348 |
Remote Similarity | 0.6506 | NPC282230 |
Remote Similarity | 0.6503 | NPC471652 |
Remote Similarity | 0.6503 | NPC83301 |
Remote Similarity | 0.6503 | NPC232387 |
Remote Similarity | 0.65 | NPC23559 |
Remote Similarity | 0.6497 | NPC280025 |
Remote Similarity | 0.6497 | NPC5537 |
Molecular Weight   | 217.07 |
ALogP   | 0.0548 |
MLogP   | 2.34 |
XLogP   | 3.943 |
HDA   | 0 |
HBD   | 0 |
Rotatable Bonds   | 2 |
TPSA   | 56.28 |
RO5 Violation   | 0 |