Drug ID:   | NPD1244 |
Drug Name:   | |
Molecular Formula:   | C14H12O3S |
Canonical SMILES:   | CCc1cccc2c1S(=O)(=O)c1c(O2)cccc1 |
Standard InCHI:   | InChI=1S/C14H12O3S/c1-2-10-6-5-8-12-14(10)18(15,16)13-9-4-3-7-11(13)17-12/h3-9H,2H2,1H3 |
Standard InCHIKey:   | HQSRQKBSOOZLHH-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 | 0.7846 | NPC470008 |
Intermediate Similarity | 0.7815 | NPC475269 |
Intermediate Similarity | 0.7317 | NPC326801 |
Intermediate Similarity | 0.7295 | NPC241224 |
Intermediate Similarity | 0.7273 | NPC300166 |
Intermediate Similarity | 0.72 | NPC75440 |
Intermediate Similarity | 0.7167 | NPC470161 |
Intermediate Similarity | 0.7154 | NPC12987 |
Intermediate Similarity | 0.7154 | NPC474603 |
Intermediate Similarity | 0.7087 | NPC2682 |
Intermediate Similarity | 0.7087 | NPC303521 |
Intermediate Similarity | 0.7087 | NPC475852 |
Intermediate Similarity | 0.7034 | NPC321956 |
Intermediate Similarity | 0.7031 | NPC255068 |
Intermediate Similarity | 0.7025 | NPC95755 |
Intermediate Similarity | 0.7016 | NPC108875 |
Intermediate Similarity | 0.7016 | NPC292792 |
Intermediate Similarity | 0.7016 | NPC38079 |
Intermediate Similarity | 0.7015 | NPC212559 |
Remote Similarity | 0.6992 | NPC307425 |
Remote Similarity | 0.6992 | NPC51341 |
Remote Similarity | 0.6984 | NPC258171 |
Remote Similarity | 0.6984 | NPC35543 |
Remote Similarity | 0.6977 | NPC474920 |
Remote Similarity | 0.6977 | NPC280760 |
Remote Similarity | 0.697 | NPC86947 |
Remote Similarity | 0.6963 | NPC475839 |
Remote Similarity | 0.696 | NPC470393 |
Remote Similarity | 0.696 | NPC473855 |
Remote Similarity | 0.6949 | NPC71853 |
Remote Similarity | 0.6947 | NPC47194 |
Remote Similarity | 0.6947 | NPC301321 |
Remote Similarity | 0.6935 | NPC12870 |
Remote Similarity | 0.6935 | NPC24327 |
Remote Similarity | 0.6934 | NPC61685 |
Remote Similarity | 0.6929 | NPC245115 |
Remote Similarity | 0.6923 | NPC303522 |
Remote Similarity | 0.6923 | NPC165106 |
Remote Similarity | 0.6917 | NPC283616 |
Remote Similarity | 0.6911 | NPC107101 |
Remote Similarity | 0.6905 | NPC113457 |
Remote Similarity | 0.6894 | NPC69539 |
Remote Similarity | 0.6889 | NPC472596 |
Remote Similarity | 0.6875 | NPC82016 |
Remote Similarity | 0.687 | NPC22610 |
Remote Similarity | 0.687 | NPC125306 |
Remote Similarity | 0.687 | NPC87563 |
Remote Similarity | 0.687 | NPC276737 |
Remote Similarity | 0.6866 | NPC59561 |
Remote Similarity | 0.6866 | NPC234956 |
Remote Similarity | 0.6866 | NPC172253 |
Remote Similarity | 0.6864 | NPC259134 |
Remote Similarity | 0.6864 | NPC99886 |
Remote Similarity | 0.6864 | NPC177844 |
Remote Similarity | 0.6864 | NPC8002 |
Remote Similarity | 0.6861 | NPC472888 |
Remote Similarity | 0.6855 | NPC51633 |
Remote Similarity | 0.6855 | NPC310905 |
Remote Similarity | 0.6855 | NPC12714 |
Remote Similarity | 0.685 | NPC233320 |
Remote Similarity | 0.6842 | NPC238176 |
Remote Similarity | 0.6842 | NPC187993 |
Remote Similarity | 0.6829 | NPC100870 |
Remote Similarity | 0.6829 | NPC471576 |
Remote Similarity | 0.6822 | NPC94045 |
Remote Similarity | 0.6818 | NPC473718 |
Remote Similarity | 0.6818 | NPC283169 |
Remote Similarity | 0.6818 | NPC475815 |
Remote Similarity | 0.6818 | NPC53906 |
Remote Similarity | 0.6818 | NPC808 |
Remote Similarity | 0.6818 | NPC167934 |
Remote Similarity | 0.6818 | NPC473264 |
Remote Similarity | 0.6815 | NPC46067 |
Remote Similarity | 0.6812 | NPC248557 |
Remote Similarity | 0.68 | NPC192596 |
Remote Similarity | 0.6797 | NPC201959 |
Remote Similarity | 0.6788 | NPC261661 |
Remote Similarity | 0.6788 | NPC71090 |
Remote Similarity | 0.6788 | NPC188997 |
Remote Similarity | 0.6783 | NPC472882 |
Remote Similarity | 0.6772 | NPC30416 |
Remote Similarity | 0.6769 | NPC55300 |
Remote Similarity | 0.6769 | NPC90520 |
Remote Similarity | 0.6769 | NPC233238 |
Remote Similarity | 0.6769 | NPC296920 |
Remote Similarity | 0.6769 | NPC245552 |
Remote Similarity | 0.6767 | NPC141090 |
Remote Similarity | 0.6767 | NPC316062 |
Remote Similarity | 0.6767 | NPC290470 |
Remote Similarity | 0.6767 | NPC150624 |
Remote Similarity | 0.6767 | NPC9341 |
Remote Similarity | 0.6767 | NPC81067 |
Remote Similarity | 0.6767 | NPC154256 |
Remote Similarity | 0.6765 | NPC473875 |
Remote Similarity | 0.6761 | NPC477804 |
Remote Similarity | 0.6752 | NPC186595 |
Remote Similarity | 0.6746 | NPC283546 |
Remote Similarity | 0.6744 | NPC474272 |
Remote Similarity | 0.6744 | NPC259554 |
Remote Similarity | 0.6742 | NPC470837 |
Remote Similarity | 0.6741 | NPC32152 |
Remote Similarity | 0.6741 | NPC35744 |
Remote Similarity | 0.6741 | NPC471449 |
Remote Similarity | 0.6739 | NPC261992 |
Remote Similarity | 0.6739 | NPC279379 |
Remote Similarity | 0.6739 | NPC470887 |
Remote Similarity | 0.6738 | NPC31707 |
Remote Similarity | 0.6719 | NPC194034 |
Remote Similarity | 0.6718 | NPC165646 |
Remote Similarity | 0.6718 | NPC280606 |
Remote Similarity | 0.6716 | NPC221549 |
Remote Similarity | 0.6716 | NPC33270 |
Remote Similarity | 0.6716 | NPC127894 |
Remote Similarity | 0.6716 | NPC219070 |
Remote Similarity | 0.6716 | NPC293619 |
Remote Similarity | 0.6716 | NPC69261 |
Remote Similarity | 0.6716 | NPC471498 |
Remote Similarity | 0.6716 | NPC470759 |
Remote Similarity | 0.6716 | NPC474933 |
Remote Similarity | 0.6716 | NPC15860 |
Remote Similarity | 0.6716 | NPC471503 |
Remote Similarity | 0.6716 | NPC25648 |
Remote Similarity | 0.6716 | NPC50521 |
Remote Similarity | 0.6716 | NPC195466 |
Remote Similarity | 0.6716 | NPC244816 |
Remote Similarity | 0.6715 | NPC193364 |
Remote Similarity | 0.6715 | NPC290451 |
Remote Similarity | 0.6715 | NPC127389 |
Remote Similarity | 0.6714 | NPC304630 |
Remote Similarity | 0.6714 | NPC128321 |
Remote Similarity | 0.6714 | NPC17837 |
Remote Similarity | 0.6713 | NPC474200 |
Remote Similarity | 0.6712 | NPC321285 |
Remote Similarity | 0.6694 | NPC275104 |
Remote Similarity | 0.6693 | NPC8302 |
Remote Similarity | 0.6693 | NPC128730 |
Remote Similarity | 0.6693 | NPC473393 |
Remote Similarity | 0.6693 | NPC288760 |
Remote Similarity | 0.6693 | NPC139891 |
Remote Similarity | 0.6692 | NPC88868 |
Remote Similarity | 0.6692 | NPC25067 |
Remote Similarity | 0.6692 | NPC106141 |
Remote Similarity | 0.6692 | NPC51345 |
Remote Similarity | 0.6692 | NPC137685 |
Remote Similarity | 0.6692 | NPC231251 |
Remote Similarity | 0.6691 | NPC256015 |
Remote Similarity | 0.6691 | NPC114901 |
Remote Similarity | 0.6691 | NPC94276 |
Remote Similarity | 0.6691 | NPC48990 |
Remote Similarity | 0.6691 | NPC293701 |
Remote Similarity | 0.6691 | NPC103916 |
Remote Similarity | 0.6691 | NPC474131 |
Remote Similarity | 0.6691 | NPC270030 |
Remote Similarity | 0.6691 | NPC8283 |
Remote Similarity | 0.6691 | NPC109822 |
Remote Similarity | 0.6691 | NPC140521 |
Remote Similarity | 0.6691 | NPC232295 |
Remote Similarity | 0.6691 | NPC294156 |
Remote Similarity | 0.6691 | NPC258979 |
Remote Similarity | 0.6691 | NPC93398 |
Remote Similarity | 0.669 | NPC96719 |
Remote Similarity | 0.669 | NPC222108 |
Remote Similarity | 0.669 | NPC86030 |
Remote Similarity | 0.669 | NPC16577 |
Remote Similarity | 0.669 | NPC5851 |
Remote Similarity | 0.6667 | NPC190514 |
Remote Similarity | 0.6667 | NPC63010 |
Remote Similarity | 0.6667 | NPC100099 |
Remote Similarity | 0.6667 | NPC241549 |
Remote Similarity | 0.6667 | NPC470626 |
Remote Similarity | 0.6667 | NPC476332 |
Remote Similarity | 0.6667 | NPC141003 |
Remote Similarity | 0.6667 | NPC35344 |
Remote Similarity | 0.6667 | NPC291837 |
Remote Similarity | 0.6667 | NPC74821 |
Remote Similarity | 0.6667 | NPC32298 |
Remote Similarity | 0.6667 | NPC474214 |
Remote Similarity | 0.6667 | NPC298884 |
Remote Similarity | 0.6667 | NPC36016 |
Remote Similarity | 0.6667 | NPC474040 |
Remote Similarity | 0.6667 | NPC298224 |
Remote Similarity | 0.6667 | NPC46978 |
Remote Similarity | 0.6667 | NPC473464 |
Remote Similarity | 0.6645 | NPC206372 |
Remote Similarity | 0.6645 | NPC203424 |
Remote Similarity | 0.6643 | NPC194519 |
Remote Similarity | 0.6643 | NPC133407 |
Remote Similarity | 0.6643 | NPC249836 |
Remote Similarity | 0.6643 | NPC28476 |
Remote Similarity | 0.6642 | NPC45663 |
Remote Similarity | 0.6642 | NPC33900 |
Remote Similarity | 0.6642 | NPC218753 |
Remote Similarity | 0.6642 | NPC114064 |
Remote Similarity | 0.6642 | NPC312105 |
Remote Similarity | 0.6642 | NPC203113 |
Remote Similarity | 0.6641 | NPC195873 |
Remote Similarity | 0.6641 | NPC173746 |
Remote Similarity | 0.6641 | NPC176971 |
Remote Similarity | 0.6641 | NPC257124 |
Remote Similarity | 0.6641 | NPC266932 |
Molecular Weight   | 260.05 |
ALogP   | -0.2724 |
MLogP   | 2.56 |
XLogP   | 3.567 |
HDA   | 2 |
HBD   | 0 |
Rotatable Bonds   | 2 |
TPSA   | 51.75 |
RO5 Violation   | 0 |