Drug ID:   | NPD615 |
Drug Name:   | |
Molecular Formula:   | C11H18O3 |
Canonical SMILES:   | CC1CCC(CC1)C(=O)CCC(=O)O |
Standard InCHI:   | InChI=1S/C11H18O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h8-9H,2-7H2,1H3,(H,13,14) |
Standard InCHIKey:   | JOWMTYWOBJALGB-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 | 0.84 | NPC314679 |
Intermediate Similarity | 0.82 | NPC55023 |
Intermediate Similarity | 0.8077 | NPC324793 |
Intermediate Similarity | 0.8077 | NPC477878 |
Intermediate Similarity | 0.8 | NPC72722 |
Intermediate Similarity | 0.7885 | NPC21844 |
Intermediate Similarity | 0.7742 | NPC469791 |
Intermediate Similarity | 0.7656 | NPC470956 |
Intermediate Similarity | 0.76 | NPC325452 |
Intermediate Similarity | 0.76 | NPC248763 |
Intermediate Similarity | 0.746 | NPC230047 |
Intermediate Similarity | 0.746 | NPC19311 |
Intermediate Similarity | 0.7385 | NPC469724 |
Intermediate Similarity | 0.7385 | NPC100917 |
Intermediate Similarity | 0.7385 | NPC281203 |
Intermediate Similarity | 0.7385 | NPC31187 |
Intermediate Similarity | 0.7353 | NPC317212 |
Intermediate Similarity | 0.7313 | NPC472309 |
Intermediate Similarity | 0.7308 | NPC74845 |
Intermediate Similarity | 0.7302 | NPC234767 |
Intermediate Similarity | 0.7231 | NPC41542 |
Intermediate Similarity | 0.7213 | NPC475821 |
Intermediate Similarity | 0.7213 | NPC469924 |
Intermediate Similarity | 0.72 | NPC279026 |
Intermediate Similarity | 0.72 | NPC113928 |
Intermediate Similarity | 0.72 | NPC261080 |
Intermediate Similarity | 0.72 | NPC154186 |
Intermediate Similarity | 0.72 | NPC301696 |
Intermediate Similarity | 0.72 | NPC14227 |
Intermediate Similarity | 0.72 | NPC3531 |
Intermediate Similarity | 0.72 | NPC201844 |
Intermediate Similarity | 0.72 | NPC301585 |
Intermediate Similarity | 0.7164 | NPC108131 |
Intermediate Similarity | 0.7143 | NPC305182 |
Intermediate Similarity | 0.7143 | NPC474552 |
Intermediate Similarity | 0.7115 | NPC289686 |
Intermediate Similarity | 0.7097 | NPC478126 |
Intermediate Similarity | 0.7077 | NPC477931 |
Intermediate Similarity | 0.7077 | NPC42060 |
Intermediate Similarity | 0.7077 | NPC268736 |
Intermediate Similarity | 0.7059 | NPC45270 |
Intermediate Similarity | 0.7059 | NPC135077 |
Intermediate Similarity | 0.7059 | NPC59570 |
Intermediate Similarity | 0.7059 | NPC215118 |
Intermediate Similarity | 0.7031 | NPC128608 |
Intermediate Similarity | 0.7018 | NPC314084 |
Intermediate Similarity | 0.7015 | NPC474962 |
Intermediate Similarity | 0.7015 | NPC196197 |
Intermediate Similarity | 0.7 | NPC179858 |
Remote Similarity | 0.6984 | NPC306750 |
Remote Similarity | 0.697 | NPC130459 |
Remote Similarity | 0.697 | NPC478180 |
Remote Similarity | 0.697 | NPC474221 |
Remote Similarity | 0.6957 | NPC177826 |
Remote Similarity | 0.6957 | NPC472813 |
Remote Similarity | 0.6949 | NPC319589 |
Remote Similarity | 0.6923 | NPC476330 |
Remote Similarity | 0.6923 | NPC196924 |
Remote Similarity | 0.6923 | NPC216630 |
Remote Similarity | 0.6923 | NPC149184 |
Remote Similarity | 0.6923 | NPC171736 |
Remote Similarity | 0.6923 | NPC209970 |
Remote Similarity | 0.6923 | NPC307783 |
Remote Similarity | 0.6885 | NPC319279 |
Remote Similarity | 0.6875 | NPC235788 |
Remote Similarity | 0.6866 | NPC474954 |
Remote Similarity | 0.6866 | NPC319007 |
Remote Similarity | 0.6863 | NPC118968 |
Remote Similarity | 0.6863 | NPC214610 |
Remote Similarity | 0.6863 | NPC294085 |
Remote Similarity | 0.6863 | NPC183424 |
Remote Similarity | 0.6825 | NPC469921 |
Remote Similarity | 0.6818 | NPC241949 |
Remote Similarity | 0.6818 | NPC103734 |
Remote Similarity | 0.6818 | NPC84562 |
Remote Similarity | 0.6812 | NPC478227 |
Remote Similarity | 0.68 | NPC252843 |
Remote Similarity | 0.6792 | NPC67462 |
Remote Similarity | 0.6786 | NPC13105 |
Remote Similarity | 0.6769 | NPC53642 |
Remote Similarity | 0.6769 | NPC470325 |
Remote Similarity | 0.6765 | NPC469941 |
Remote Similarity | 0.6765 | NPC64466 |
Remote Similarity | 0.6765 | NPC319671 |
Remote Similarity | 0.6765 | NPC252032 |
Remote Similarity | 0.6765 | NPC476734 |
Remote Similarity | 0.6761 | NPC155441 |
Remote Similarity | 0.6761 | NPC132064 |
Remote Similarity | 0.6761 | NPC472311 |
Remote Similarity | 0.6727 | NPC108441 |
Remote Similarity | 0.6727 | NPC77550 |
Remote Similarity | 0.6724 | NPC291724 |
Remote Similarity | 0.6724 | NPC274261 |
Remote Similarity | 0.6719 | NPC469923 |
Remote Similarity | 0.6716 | NPC476626 |
Remote Similarity | 0.6667 | NPC268826 |
Remote Similarity | 0.6667 | NPC215987 |
Remote Similarity | 0.6667 | NPC306805 |
Remote Similarity | 0.6667 | NPC255837 |
Remote Similarity | 0.6667 | NPC477850 |
Remote Similarity | 0.6667 | NPC235586 |
Remote Similarity | 0.6667 | NPC470363 |
Remote Similarity | 0.6667 | NPC20466 |
Remote Similarity | 0.6667 | NPC19305 |
Remote Similarity | 0.6667 | NPC477929 |
Remote Similarity | 0.6622 | NPC472310 |
Remote Similarity | 0.662 | NPC167702 |
Remote Similarity | 0.662 | NPC280026 |
Remote Similarity | 0.6618 | NPC103647 |
Remote Similarity | 0.6618 | NPC36616 |
Remote Similarity | 0.6618 | NPC180777 |
Remote Similarity | 0.6618 | NPC473225 |
Remote Similarity | 0.6618 | NPC290445 |
Remote Similarity | 0.6618 | NPC2568 |
Remote Similarity | 0.6618 | NPC260319 |
Remote Similarity | 0.6607 | NPC328497 |
Remote Similarity | 0.6607 | NPC324004 |
Remote Similarity | 0.66 | NPC155263 |
Remote Similarity | 0.6579 | NPC133391 |
Remote Similarity | 0.6575 | NPC477918 |
Remote Similarity | 0.6575 | NPC74685 |
Remote Similarity | 0.6575 | NPC212661 |
Remote Similarity | 0.6575 | NPC112463 |
Remote Similarity | 0.6575 | NPC169389 |
Remote Similarity | 0.6575 | NPC238227 |
Remote Similarity | 0.6575 | NPC307865 |
Remote Similarity | 0.6575 | NPC471035 |
Remote Similarity | 0.6571 | NPC89310 |
Remote Similarity | 0.6571 | NPC311102 |
Remote Similarity | 0.6571 | NPC197701 |
Remote Similarity | 0.6571 | NPC469940 |
Remote Similarity | 0.6567 | NPC473899 |
Remote Similarity | 0.6562 | NPC40206 |
Remote Similarity | 0.6562 | NPC472021 |
Remote Similarity | 0.6562 | NPC302188 |
Remote Similarity | 0.6545 | NPC8219 |
Remote Similarity | 0.6538 | NPC141634 |
Remote Similarity | 0.6528 | NPC39362 |
Remote Similarity | 0.6528 | NPC212733 |
Remote Similarity | 0.6522 | NPC6120 |
Remote Similarity | 0.6522 | NPC327728 |
Remote Similarity | 0.6522 | NPC131892 |
Remote Similarity | 0.6522 | NPC98711 |
Remote Similarity | 0.6522 | NPC321732 |
Remote Similarity | 0.6522 | NPC213178 |
Remote Similarity | 0.6522 | NPC324607 |
Remote Similarity | 0.6515 | NPC314103 |
Remote Similarity | 0.6491 | NPC200618 |
Remote Similarity | 0.6491 | NPC131770 |
Remote Similarity | 0.6491 | NPC106872 |
Remote Similarity | 0.6486 | NPC26029 |
Remote Similarity | 0.6486 | NPC476810 |
Remote Similarity | 0.6486 | NPC185465 |
Remote Similarity | 0.6486 | NPC472608 |
Remote Similarity | 0.6479 | NPC473699 |
Remote Similarity | 0.6479 | NPC35656 |
Remote Similarity | 0.6479 | NPC475232 |
Remote Similarity | 0.6479 | NPC330659 |
Remote Similarity | 0.6479 | NPC36310 |
Remote Similarity | 0.6479 | NPC475230 |
Remote Similarity | 0.6479 | NPC474755 |
Remote Similarity | 0.6479 | NPC475260 |
Remote Similarity | 0.6479 | NPC474100 |
Remote Similarity | 0.6479 | NPC244708 |
Remote Similarity | 0.6479 | NPC310766 |
Remote Similarity | 0.6479 | NPC51249 |
Remote Similarity | 0.6479 | NPC473775 |
Remote Similarity | 0.6479 | NPC161187 |
Remote Similarity | 0.6471 | NPC472875 |
Remote Similarity | 0.6471 | NPC263161 |
Remote Similarity | 0.6471 | NPC286842 |
Remote Similarity | 0.6471 | NPC469868 |
Remote Similarity | 0.6471 | NPC472984 |
Remote Similarity | 0.6438 | NPC104806 |
Remote Similarity | 0.6438 | NPC180886 |
Remote Similarity | 0.6438 | NPC4209 |
Remote Similarity | 0.6438 | NPC474020 |
Remote Similarity | 0.6438 | NPC108840 |
Remote Similarity | 0.6429 | NPC12438 |
Remote Similarity | 0.6429 | NPC18543 |
Remote Similarity | 0.6429 | NPC30195 |
Remote Similarity | 0.6429 | NPC163020 |
Remote Similarity | 0.6429 | NPC476731 |
Remote Similarity | 0.6429 | NPC282440 |
Remote Similarity | 0.6429 | NPC91369 |
Remote Similarity | 0.6418 | NPC157518 |
Remote Similarity | 0.6418 | NPC61473 |
Remote Similarity | 0.6406 | NPC472019 |
Remote Similarity | 0.6406 | NPC226602 |
Remote Similarity | 0.6406 | NPC472020 |
Remote Similarity | 0.64 | NPC192329 |
Remote Similarity | 0.64 | NPC477371 |
Remote Similarity | 0.64 | NPC156630 |
Remote Similarity | 0.64 | NPC192744 |
Remote Similarity | 0.64 | NPC320144 |
Remote Similarity | 0.6389 | NPC46610 |
Remote Similarity | 0.6389 | NPC38426 |
Remote Similarity | 0.6389 | NPC168511 |
Remote Similarity | 0.6389 | NPC215030 |
Remote Similarity | 0.6389 | NPC159325 |
Molecular Weight   | 198.13 |
ALogP   | 0.5771 |
MLogP   | 2.34 |
XLogP   | 1.976 |
HDA   | 3 |
HBD   | 1 |
Rotatable Bonds   | 6 |
TPSA   | 54.37 |
RO5 Violation   | 0 |