Drug ID:   | NPD964 |
Drug Name:   | Sulfabenzamide |
Molecular Formula:   | C13H12N2O3S |
Canonical SMILES:   | Nc1ccc(cc1)S(=O)(=O)N=C(c1ccccc1)O |
Standard InCHI:   | InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16) |
Standard InCHIKey:   | PBCZLFBEBARBBI-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 | 0.8136 | NPC37584 |
Intermediate Similarity | 0.7422 | NPC147957 |
Intermediate Similarity | 0.7333 | NPC328793 |
Intermediate Similarity | 0.7217 | NPC315403 |
Intermediate Similarity | 0.7 | NPC476685 |
Intermediate Similarity | 0.7 | NPC476689 |
Intermediate Similarity | 0.7 | NPC205652 |
Intermediate Similarity | 0.7 | NPC476687 |
Intermediate Similarity | 0.7 | NPC322283 |
Remote Similarity | 0.687 | NPC470550 |
Remote Similarity | 0.6818 | NPC222982 |
Remote Similarity | 0.6803 | NPC33168 |
Remote Similarity | 0.68 | NPC178681 |
Remote Similarity | 0.6786 | NPC197680 |
Remote Similarity | 0.6786 | NPC259098 |
Remote Similarity | 0.6783 | NPC184437 |
Remote Similarity | 0.678 | NPC107135 |
Remote Similarity | 0.6752 | NPC43655 |
Remote Similarity | 0.6696 | NPC146703 |
Remote Similarity | 0.6693 | NPC211551 |
Remote Similarity | 0.6667 | NPC229353 |
Remote Similarity | 0.6646 | NPC288430 |
Remote Similarity | 0.6644 | NPC126637 |
Remote Similarity | 0.6571 | NPC325013 |
Remote Similarity | 0.6569 | NPC150323 |
Remote Similarity | 0.6569 | NPC130931 |
Remote Similarity | 0.6557 | NPC476483 |
Remote Similarity | 0.6549 | NPC101372 |
Remote Similarity | 0.6503 | NPC226662 |
Remote Similarity | 0.6471 | NPC198747 |
Remote Similarity | 0.6454 | NPC205946 |
Remote Similarity | 0.6446 | NPC191444 |
Remote Similarity | 0.6446 | NPC78154 |
Remote Similarity | 0.6412 | NPC153690 |
Remote Similarity | 0.6387 | NPC288445 |
Remote Similarity | 0.6378 | NPC70201 |
Remote Similarity | 0.6376 | NPC181527 |
Remote Similarity | 0.6364 | NPC176858 |
Remote Similarity | 0.6364 | NPC254798 |
Remote Similarity | 0.6341 | NPC265521 |
Remote Similarity | 0.6338 | NPC474926 |
Remote Similarity | 0.6336 | NPC76327 |
Remote Similarity | 0.6323 | NPC237649 |
Remote Similarity | 0.6323 | NPC300596 |
Remote Similarity | 0.6291 | NPC314113 |
Remote Similarity | 0.6288 | NPC302790 |
Remote Similarity | 0.6286 | NPC273830 |
Remote Similarity | 0.6279 | NPC311660 |
Remote Similarity | 0.6241 | NPC255721 |
Remote Similarity | 0.624 | NPC20142 |
Remote Similarity | 0.624 | NPC215351 |
Remote Similarity | 0.6231 | NPC256838 |
Remote Similarity | 0.622 | NPC290515 |
Remote Similarity | 0.622 | NPC226096 |
Remote Similarity | 0.622 | NPC303611 |
Remote Similarity | 0.622 | NPC108606 |
Remote Similarity | 0.622 | NPC164514 |
Remote Similarity | 0.6216 | NPC253476 |
Remote Similarity | 0.621 | NPC108800 |
Remote Similarity | 0.6207 | NPC328590 |
Remote Similarity | 0.62 | NPC166667 |
Remote Similarity | 0.6194 | NPC259678 |
Remote Similarity | 0.6194 | NPC9336 |
Remote Similarity | 0.619 | NPC3371 |
Remote Similarity | 0.619 | NPC313466 |
Remote Similarity | 0.6188 | NPC141353 |
Remote Similarity | 0.6179 | NPC172128 |
Remote Similarity | 0.6169 | NPC477890 |
Remote Similarity | 0.6154 | NPC192623 |
Remote Similarity | 0.6154 | NPC226794 |
Remote Similarity | 0.6148 | NPC262393 |
Remote Similarity | 0.6144 | NPC472241 |
Remote Similarity | 0.6134 | NPC15839 |
Remote Similarity | 0.6133 | NPC159589 |
Remote Similarity | 0.6118 | NPC472243 |
Remote Similarity | 0.6104 | NPC60553 |
Remote Similarity | 0.6094 | NPC315921 |
Remote Similarity | 0.6094 | NPC107619 |
Remote Similarity | 0.6087 | NPC477889 |
Remote Similarity | 0.6066 | NPC262295 |
Remote Similarity | 0.6063 | NPC317400 |
Remote Similarity | 0.6048 | NPC92689 |
Remote Similarity | 0.6045 | NPC24101 |
Remote Similarity | 0.6045 | NPC96224 |
Remote Similarity | 0.6043 | NPC82963 |
Remote Similarity | 0.6042 | NPC317758 |
Remote Similarity | 0.6027 | NPC476950 |
Remote Similarity | 0.6026 | NPC472242 |
Remote Similarity | 0.6026 | NPC470824 |
Remote Similarity | 0.6016 | NPC111233 |
Remote Similarity | 0.6016 | NPC30445 |
Remote Similarity | 0.6016 | NPC311242 |
Remote Similarity | 0.6014 | NPC314098 |
Remote Similarity | 0.6013 | NPC47986 |
Remote Similarity | 0.6013 | NPC242933 |
Remote Similarity | 0.6 | NPC189116 |
Remote Similarity | 0.6 | NPC474479 |
Remote Similarity | 0.6 | NPC311737 |
Remote Similarity | 0.6 | NPC29601 |
Remote Similarity | 0.6 | NPC38458 |
Remote Similarity | 0.6 | NPC473432 |
Remote Similarity | 0.6 | NPC226438 |
Remote Similarity | 0.5988 | NPC208280 |
Remote Similarity | 0.5987 | NPC159722 |
Remote Similarity | 0.5986 | NPC317564 |
Remote Similarity | 0.5986 | NPC122235 |
Remote Similarity | 0.5985 | NPC226778 |
Remote Similarity | 0.5985 | NPC304761 |
Remote Similarity | 0.5985 | NPC150254 |
Remote Similarity | 0.5985 | NPC147000 |
Remote Similarity | 0.5976 | NPC131718 |
Remote Similarity | 0.5974 | NPC43477 |
Remote Similarity | 0.5968 | NPC470877 |
Remote Similarity | 0.5968 | NPC173991 |
Remote Similarity | 0.5966 | NPC307456 |
Remote Similarity | 0.5963 | NPC471132 |
Remote Similarity | 0.5959 | NPC314278 |
Remote Similarity | 0.5954 | NPC318154 |
Remote Similarity | 0.5954 | NPC327226 |
Remote Similarity | 0.5951 | NPC316910 |
Remote Similarity | 0.5946 | NPC477432 |
Remote Similarity | 0.5944 | NPC324702 |
Remote Similarity | 0.5942 | NPC1986 |
Remote Similarity | 0.5942 | NPC474544 |
Remote Similarity | 0.5939 | NPC289776 |
Remote Similarity | 0.5939 | NPC88970 |
Remote Similarity | 0.5939 | NPC476231 |
Remote Similarity | 0.5939 | NPC191863 |
Remote Similarity | 0.5939 | NPC133470 |
Remote Similarity | 0.5935 | NPC470090 |
Remote Similarity | 0.5923 | NPC125732 |
Remote Similarity | 0.592 | NPC141139 |
Remote Similarity | 0.592 | NPC78041 |
Remote Similarity | 0.592 | NPC74936 |
Remote Similarity | 0.592 | NPC209764 |
Remote Similarity | 0.592 | NPC121872 |
Remote Similarity | 0.592 | NPC471307 |
Remote Similarity | 0.592 | NPC159178 |
Remote Similarity | 0.5915 | NPC43275 |
Remote Similarity | 0.5915 | NPC283760 |
Remote Similarity | 0.5912 | NPC275410 |
Remote Similarity | 0.5909 | NPC68055 |
Remote Similarity | 0.5904 | NPC476118 |
Remote Similarity | 0.5904 | NPC159319 |
Remote Similarity | 0.5901 | NPC184161 |
Remote Similarity | 0.5899 | NPC118202 |
Remote Similarity | 0.5896 | NPC249662 |
Remote Similarity | 0.589 | NPC4974 |
Remote Similarity | 0.5882 | NPC316574 |
Remote Similarity | 0.5882 | NPC287358 |
Remote Similarity | 0.5868 | NPC471130 |
Remote Similarity | 0.586 | NPC472103 |
Remote Similarity | 0.5859 | NPC303045 |
Remote Similarity | 0.5859 | NPC161972 |
Remote Similarity | 0.5857 | NPC218710 |
Remote Similarity | 0.5854 | NPC203076 |
Remote Similarity | 0.5852 | NPC44836 |
Remote Similarity | 0.585 | NPC250476 |
Remote Similarity | 0.5843 | NPC475983 |
Remote Similarity | 0.5843 | NPC47298 |
Remote Similarity | 0.5843 | NPC315214 |
Remote Similarity | 0.5839 | NPC325651 |
Remote Similarity | 0.5839 | NPC319579 |
Remote Similarity | 0.5833 | NPC473429 |
Remote Similarity | 0.5833 | NPC284078 |
Remote Similarity | 0.5827 | NPC314141 |
Remote Similarity | 0.5827 | NPC264782 |
Remote Similarity | 0.5818 | NPC103250 |
Remote Similarity | 0.5814 | NPC471743 |
Remote Similarity | 0.5811 | NPC199738 |
Remote Similarity | 0.5811 | NPC58827 |
Remote Similarity | 0.5811 | NPC72473 |
Remote Similarity | 0.5811 | NPC210950 |
Remote Similarity | 0.5811 | NPC307437 |
Remote Similarity | 0.5808 | NPC32028 |
Remote Similarity | 0.5808 | NPC102423 |
Remote Similarity | 0.5806 | NPC314252 |
Remote Similarity | 0.5806 | NPC473031 |
Remote Similarity | 0.5806 | NPC181526 |
Remote Similarity | 0.5796 | NPC478040 |
Remote Similarity | 0.5793 | NPC10730 |
Remote Similarity | 0.5793 | NPC10875 |
Remote Similarity | 0.5789 | NPC178902 |
Remote Similarity | 0.5789 | NPC91615 |
Remote Similarity | 0.5789 | NPC474409 |
Remote Similarity | 0.5783 | NPC235628 |
Remote Similarity | 0.5783 | NPC306366 |
Remote Similarity | 0.5781 | NPC471309 |
Remote Similarity | 0.5778 | NPC231705 |
Remote Similarity | 0.5775 | NPC313449 |
Remote Similarity | 0.5766 | NPC65855 |
Remote Similarity | 0.5766 | NPC292758 |
Remote Similarity | 0.5766 | NPC290566 |
Remote Similarity | 0.5766 | NPC172046 |
Remote Similarity | 0.5766 | NPC258056 |
Remote Similarity | 0.5766 | NPC145638 |
Remote Similarity | 0.5765 | NPC477888 |
Remote Similarity | 0.5765 | NPC126481 |
Remote Similarity | 0.5764 | NPC326232 |
Remote Similarity | 0.5763 | NPC66655 |
Molecular Weight   | 276.06 |
ALogP   | -1.9029 |
MLogP   | 2.23 |
XLogP   | 3.456 |
HDA   | 5 |
HBD   | 2 |
Rotatable Bonds   | 5 |
TPSA   | 101.13 |
RO5 Violation   | 0 |