Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO24 | Gypsophila patrinii | Species | Caryophyllaceae | Eukaryota | UNPD* | |||
NPO932 | Myrceugenia exsucca | Species | Myrtaceae | Eukaryota | UNPD* | |||
NPO10218 | Gracilariopsis longissima | Species | Gracilariaceae | Eukaryota | UNPD* | |||
NPO23535 | Naganishia albida | Species | Filobasidiaceae | Eukaryota | UNPD* | |||
NPO4629 | Angelica tschimganica | Species | Apiaceae | Eukaryota | UNPD* | |||
NPO6508 | Dendrilla cactos | Species | Darwinellidae | Eukaryota | UNPD* | |||
NPO3722 | Litoria subglandulosa | Species | Hylidae | Eukaryota | UNPD* | |||
NPO5554 | Quercus lanceaefolia | Species | Fagaceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | 25644.84 | nM | PubChem BioAssay data set | |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | 25292.98 | nM | PubChem BioAssay data set | |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | 30269.13 | nM | PubChem BioAssay data set | |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | 33265.96 | nM | PubChem BioAssay data set | |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | 18879.91 | nM | PubChem BioAssay data set | |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 4092.61 | nM | PubChem BioAssay data set | |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | 19678.86 | nM | PubChem BioAssay data set | |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | 31332.86 | nM | PubChem BioAssay data set | |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | 15452.54 | nM | PubChem BioAssay data set | |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | 23933.16 | nM | PubChem BioAssay data set | |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | 18879.91 | nM | PubChem BioAssay data set | |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | 18836.49 | nM | PubChem BioAssay data set | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | 14757.07 | nM | PubChem BioAssay data set | |
NPT379 | Cell Line | HOP-62 | Homo sapiens | GI50 | 26915.35 | nM | PubChem BioAssay data set | |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | 25061.09 | nM | PubChem BioAssay data set | |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | 24831.33 | nM | PubChem BioAssay data set | |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | 17258.38 | nM | PubChem BioAssay data set | |
NPT572 | Cell Line | DMS-273 | Homo sapiens | GI50 | 25292.98 | nM | PubChem BioAssay data set | |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | 61094.2 | nM | PubChem BioAssay data set | |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | 33342.64 | nM | PubChem BioAssay data set | |
NPT385 | Cell Line | SR | Homo sapiens | GI50 | 16180.8 | nM | PubChem BioAssay data set | |
NPT573 | Cell Line | M19-MEL | Homo sapiens | GI50 | 47533.52 | nM | PubChem BioAssay data set | |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | 39719.15 | nM | PubChem BioAssay data set | |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | 17298.16 | nM | PubChem BioAssay data set | |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | 25468.3 | nM | PubChem BioAssay data set | |
NPT574 | Cell Line | XF498 | Homo sapiens | GI50 | 34197.94 | nM | PubChem BioAssay data set | |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | 32136.61 | nM | PubChem BioAssay data set | |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | 24603.68 | nM | PubChem BioAssay data set | |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | 16710.91 | nM | PubChem BioAssay data set | |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | 50234.26 | nM | PubChem BioAssay data set | |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | 14791.08 | nM | PubChem BioAssay data set | |
NPT575 | Cell Line | KM-20L2 | Homo sapiens | GI50 | 25941.79 | nM | PubChem BioAssay data set | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | 36140.99 | nM | PubChem BioAssay data set | |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | 19724.23 | nM | PubChem BioAssay data set | |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | 37153.52 | nM | PubChem BioAssay data set | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | 21577.44 | nM | PubChem BioAssay data set | |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | 23933.16 | nM | PubChem BioAssay data set | |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | 28379.19 | nM | PubChem BioAssay data set | |
NPT576 | Cell Line | DMS-114 | Homo sapiens | GI50 | 22961.49 | nM | PubChem BioAssay data set | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT731 | Cell Line | LXFL 529 | Homo sapiens | GI50 | 27039.58 | nM | PubChem BioAssay data set | |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | 21330.45 | nM | PubChem BioAssay data set | |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | 20090.93 | nM | PubChem BioAssay data set | |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | 34514.37 | nM | PubChem BioAssay data set | |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | 26424.09 | nM | PubChem BioAssay data set | |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | 18663.8 | nM | PubChem BioAssay data set | |
NPT577 | Cell Line | RXF 631 | Homo sapiens | GI50 | 20989.4 | nM | PubChem BioAssay data set | |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | 22908.68 | nM | PubChem BioAssay data set | |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT578 | Cell Line | SNB-78 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT579 | Cell Line | DLD-1 | Homo sapiens | GI50 | 20137.24 | nM | PubChem BioAssay data set | |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | 28575.91 | nM | PubChem BioAssay data set | |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | 27164.39 | nM | PubChem BioAssay data set | |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | 23014.42 | nM | PubChem BioAssay data set | |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | 36057.86 | nM | PubChem BioAssay data set | |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | 27415.74 | nM | PubChem BioAssay data set | |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | 21777.1 | nM | PubChem BioAssay data set | |
NPT732 | Cell Line | HOP-18 | Homo sapiens | GI50 | 19186.69 | nM | PubChem BioAssay data set |
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
●  The left chart: Distribution of similarity level between NPC74845 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
0.95 | High Similarity | NPC149184 |
0.95 | High Similarity | NPC171736 |
0.95 | High Similarity | NPC209970 |
0.95 | High Similarity | NPC216630 |
0.95 | High Similarity | NPC196924 |
0.95 | High Similarity | NPC307783 |
0.9268 | High Similarity | NPC67462 |
0.9 | High Similarity | NPC301585 |
0.9 | High Similarity | NPC14227 |
0.9 | High Similarity | NPC261080 |
0.9 | High Similarity | NPC201844 |
0.9 | High Similarity | NPC113928 |
0.9 | High Similarity | NPC154186 |
0.9 | High Similarity | NPC279026 |
0.9 | High Similarity | NPC301696 |
0.8864 | High Similarity | NPC328497 |
0.8864 | High Similarity | NPC324004 |
0.8837 | High Similarity | NPC8219 |
0.8667 | High Similarity | NPC106872 |
0.8636 | High Similarity | NPC30195 |
0.8636 | High Similarity | NPC12438 |
0.8605 | High Similarity | NPC255837 |
0.8605 | High Similarity | NPC19305 |
0.8537 | High Similarity | NPC118968 |
0.8537 | High Similarity | NPC214610 |
0.8537 | High Similarity | NPC183424 |
0.8537 | High Similarity | NPC294085 |
0.8444 | Intermediate Similarity | NPC21844 |
0.8409 | Intermediate Similarity | NPC469781 |
0.8372 | Intermediate Similarity | NPC71317 |
0.8372 | Intermediate Similarity | NPC129972 |
0.8372 | Intermediate Similarity | NPC301528 |
0.8333 | Intermediate Similarity | NPC12156 |
0.8333 | Intermediate Similarity | NPC28598 |
0.8333 | Intermediate Similarity | NPC161097 |
0.8298 | Intermediate Similarity | NPC90904 |
0.8293 | Intermediate Similarity | NPC268826 |
0.8261 | Intermediate Similarity | NPC324793 |
0.8261 | Intermediate Similarity | NPC477878 |
0.825 | Intermediate Similarity | NPC155263 |
0.8182 | Intermediate Similarity | NPC317128 |
0.814 | Intermediate Similarity | NPC103286 |
0.814 | Intermediate Similarity | NPC163746 |
0.8085 | Intermediate Similarity | NPC304162 |
0.8 | Intermediate Similarity | NPC47363 |
0.8 | Intermediate Similarity | NPC287231 |
0.8 | Intermediate Similarity | NPC156630 |
0.8 | Intermediate Similarity | NPC55023 |
0.7955 | Intermediate Similarity | NPC203531 |
0.7955 | Intermediate Similarity | NPC236579 |
0.7955 | Intermediate Similarity | NPC289686 |
0.7872 | Intermediate Similarity | NPC200618 |
0.7872 | Intermediate Similarity | NPC131770 |
0.7857 | Intermediate Similarity | NPC22903 |
0.7857 | Intermediate Similarity | NPC305660 |
0.7857 | Intermediate Similarity | NPC54980 |
0.7857 | Intermediate Similarity | NPC201622 |
0.7826 | Intermediate Similarity | NPC314679 |
0.7805 | Intermediate Similarity | NPC134782 |
0.7778 | Intermediate Similarity | NPC76051 |
0.7708 | Intermediate Similarity | NPC26253 |
0.7692 | Intermediate Similarity | NPC477201 |
0.7674 | Intermediate Similarity | NPC219536 |
0.7674 | Intermediate Similarity | NPC31551 |
0.7647 | Intermediate Similarity | NPC23155 |
0.7647 | Intermediate Similarity | NPC469937 |
0.7647 | Intermediate Similarity | NPC53463 |
0.7647 | Intermediate Similarity | NPC320588 |
0.7619 | Intermediate Similarity | NPC109026 |
0.75 | Intermediate Similarity | NPC175342 |
0.75 | Intermediate Similarity | NPC40597 |
0.75 | Intermediate Similarity | NPC149299 |
0.75 | Intermediate Similarity | NPC256163 |
0.75 | Intermediate Similarity | NPC165533 |
0.75 | Intermediate Similarity | NPC250028 |
0.7451 | Intermediate Similarity | NPC72722 |
0.7442 | Intermediate Similarity | NPC73245 |
0.74 | Intermediate Similarity | NPC470412 |
0.74 | Intermediate Similarity | NPC470410 |
0.74 | Intermediate Similarity | NPC100096 |
0.7333 | Intermediate Similarity | NPC248763 |
0.7333 | Intermediate Similarity | NPC53541 |
0.7333 | Intermediate Similarity | NPC325452 |
0.7308 | Intermediate Similarity | NPC154245 |
0.7308 | Intermediate Similarity | NPC424 |
0.7308 | Intermediate Similarity | NPC85813 |
0.7308 | Intermediate Similarity | NPC32467 |
0.7308 | Intermediate Similarity | NPC25417 |
0.7308 | Intermediate Similarity | NPC87564 |
0.7308 | Intermediate Similarity | NPC88966 |
0.7308 | Intermediate Similarity | NPC281972 |
0.7308 | Intermediate Similarity | NPC261831 |
0.7308 | Intermediate Similarity | NPC290563 |
0.7308 | Intermediate Similarity | NPC6095 |
0.7308 | Intermediate Similarity | NPC87394 |
0.7273 | Intermediate Similarity | NPC106851 |
0.7273 | Intermediate Similarity | NPC223249 |
0.7273 | Intermediate Similarity | NPC274927 |
0.7273 | Intermediate Similarity | NPC80234 |
0.725 | Intermediate Similarity | NPC76608 |
0.725 | Intermediate Similarity | NPC225318 |
0.725 | Intermediate Similarity | NPC16578 |
0.725 | Intermediate Similarity | NPC149101 |
0.7209 | Intermediate Similarity | NPC158179 |
0.72 | Intermediate Similarity | NPC55678 |
0.7143 | Intermediate Similarity | NPC180534 |
0.7115 | Intermediate Similarity | NPC139029 |
0.7115 | Intermediate Similarity | NPC1813 |
0.7115 | Intermediate Similarity | NPC36061 |
0.7115 | Intermediate Similarity | NPC70387 |
0.7115 | Intermediate Similarity | NPC321062 |
0.7115 | Intermediate Similarity | NPC294548 |
0.7083 | Intermediate Similarity | NPC52700 |
0.7083 | Intermediate Similarity | NPC145045 |
0.7083 | Intermediate Similarity | NPC63182 |
0.7083 | Intermediate Similarity | NPC105329 |
0.7083 | Intermediate Similarity | NPC166287 |
0.7073 | Intermediate Similarity | NPC18224 |
0.7073 | Intermediate Similarity | NPC328710 |
0.7059 | Intermediate Similarity | NPC287811 |
0.7037 | Intermediate Similarity | NPC18951 |
0.7 | Intermediate Similarity | NPC168982 |
0.6964 | Remote Similarity | NPC469924 |
0.6964 | Remote Similarity | NPC470363 |
0.6939 | Remote Similarity | NPC326957 |
0.6923 | Remote Similarity | NPC281245 |
0.6923 | Remote Similarity | NPC18357 |
0.6923 | Remote Similarity | NPC92114 |
0.6905 | Remote Similarity | NPC127142 |
0.6905 | Remote Similarity | NPC7814 |
0.6889 | Remote Similarity | NPC3531 |
0.6875 | Remote Similarity | NPC273545 |
0.6863 | Remote Similarity | NPC50457 |
0.6842 | Remote Similarity | NPC235242 |
0.6842 | Remote Similarity | NPC251042 |
0.6842 | Remote Similarity | NPC122521 |
0.6842 | Remote Similarity | NPC243532 |
0.6842 | Remote Similarity | NPC174447 |
0.6818 | Remote Similarity | NPC252843 |
0.6818 | Remote Similarity | NPC128996 |
0.675 | Remote Similarity | NPC174368 |
0.675 | Remote Similarity | NPC42403 |
0.675 | Remote Similarity | NPC153439 |
0.675 | Remote Similarity | NPC221192 |
0.675 | Remote Similarity | NPC222997 |
0.675 | Remote Similarity | NPC79887 |
0.675 | Remote Similarity | NPC4962 |
0.675 | Remote Similarity | NPC196434 |
0.675 | Remote Similarity | NPC29561 |
0.6744 | Remote Similarity | NPC317203 |
0.6731 | Remote Similarity | NPC262968 |
0.6727 | Remote Similarity | NPC179764 |
0.6727 | Remote Similarity | NPC187777 |
0.6724 | Remote Similarity | NPC201939 |
0.6724 | Remote Similarity | NPC469923 |
0.6724 | Remote Similarity | NPC40082 |
0.6667 | Remote Similarity | NPC476330 |
0.6667 | Remote Similarity | NPC326532 |
0.6667 | Remote Similarity | NPC17935 |
0.661 | Remote Similarity | NPC474552 |
0.661 | Remote Similarity | NPC235788 |
0.6607 | Remote Similarity | NPC225929 |
0.6604 | Remote Similarity | NPC310746 |
0.66 | Remote Similarity | NPC249754 |
0.6591 | Remote Similarity | NPC80396 |
0.6591 | Remote Similarity | NPC474392 |
0.6591 | Remote Similarity | NPC80641 |
0.6591 | Remote Similarity | NPC154642 |
0.6591 | Remote Similarity | NPC474914 |
0.6552 | Remote Similarity | NPC469921 |
0.6545 | Remote Similarity | NPC54766 |
0.6545 | Remote Similarity | NPC473863 |
0.6545 | Remote Similarity | NPC274290 |
0.6538 | Remote Similarity | NPC224227 |
0.6538 | Remote Similarity | NPC59051 |
0.6512 | Remote Similarity | NPC57499 |
0.65 | Remote Similarity | NPC314103 |
0.65 | Remote Similarity | NPC68343 |
0.65 | Remote Similarity | NPC38859 |
0.65 | Remote Similarity | NPC198118 |
0.65 | Remote Similarity | NPC295442 |
0.65 | Remote Similarity | NPC328089 |
0.6481 | Remote Similarity | NPC139545 |
0.6481 | Remote Similarity | NPC39633 |
0.6481 | Remote Similarity | NPC309606 |
0.6471 | Remote Similarity | NPC216130 |
0.6458 | Remote Similarity | NPC176500 |
0.6444 | Remote Similarity | NPC74352 |
0.6429 | Remote Similarity | NPC268596 |
0.6415 | Remote Similarity | NPC314084 |
0.64 | Remote Similarity | NPC308301 |
0.6393 | Remote Similarity | NPC245947 |
0.6393 | Remote Similarity | NPC136164 |
0.6393 | Remote Similarity | NPC255863 |
0.6393 | Remote Similarity | NPC318420 |
0.6393 | Remote Similarity | NPC326268 |
0.6393 | Remote Similarity | NPC230047 |
0.6393 | Remote Similarity | NPC469791 |
0.6393 | Remote Similarity | NPC19311 |
0.6379 | Remote Similarity | NPC475821 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC74845 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.95 | High Similarity | NPD2270 | Approved |
0.9 | High Similarity | NPD9448 | Phase 2 |
0.9 | High Similarity | NPD633 | Phase 3 |
0.8837 | High Similarity | NPD3199 | Clinical (unspecified phase) |
0.875 | High Similarity | NPD3206 | Approved |
0.8537 | High Similarity | NPD9655 | Approved |
0.8 | Intermediate Similarity | NPD2699 | Approved |
0.7826 | Intermediate Similarity | NPD634 | Phase 3 |
0.7647 | Intermediate Similarity | NPD3728 | Approved |
0.7647 | Intermediate Similarity | NPD3729 | Clinical (unspecified phase) |
0.7647 | Intermediate Similarity | NPD3730 | Approved |
0.76 | Intermediate Similarity | NPD3186 | Phase 1 |
0.7308 | Intermediate Similarity | NPD3194 | Approved |
0.7308 | Intermediate Similarity | NPD3195 | Phase 2 |
0.7308 | Intermediate Similarity | NPD3196 | Approved |
0.7308 | Intermediate Similarity | NPD4266 | Approved |
0.7308 | Intermediate Similarity | NPD615 | Clinical (unspecified phase) |
0.7174 | Intermediate Similarity | NPD387 | Clinical (unspecified phase) |
0.7143 | Intermediate Similarity | NPD622 | Approved |
0.7143 | Intermediate Similarity | NPD6125 | Clinical (unspecified phase) |
0.7115 | Intermediate Similarity | NPD3172 | Approved |
0.7083 | Intermediate Similarity | NPD9430 | Approved |
0.7083 | Intermediate Similarity | NPD9431 | Approved |
0.6964 | Remote Similarity | NPD3198 | Approved |
0.6905 | Remote Similarity | NPD8857 | Approved |
0.6889 | Remote Similarity | NPD9450 | Approved |
0.6889 | Remote Similarity | NPD77 | Approved |
0.6731 | Remote Similarity | NPD29 | Approved |
0.6731 | Remote Similarity | NPD28 | Approved |
0.6667 | Remote Similarity | NPD9513 | Phase 1 |
0.65 | Remote Similarity | NPD3197 | Phase 1 |
0.65 | Remote Similarity | NPD7909 | Approved |
0.6471 | Remote Similarity | NPD2266 | Phase 2 |
0.6444 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.6415 | Remote Similarity | NPD9638 | Phase 2 |
0.6346 | Remote Similarity | NPD3173 | Approved |
0.629 | Remote Similarity | NPD4224 | Phase 2 |
0.6279 | Remote Similarity | NPD5383 | Approved |
0.6279 | Remote Similarity | NPD2272 | Approved |
0.6061 | Remote Similarity | NPD6081 | Approved |
0.6042 | Remote Similarity | NPD9635 | Discontinued |
0.6 | Remote Similarity | NPD9447 | Approved |
0.5952 | Remote Similarity | NPD62 | Approved |
0.5902 | Remote Similarity | NPD9676 | Phase 3 |
0.5873 | Remote Similarity | NPD7341 | Phase 2 |
0.5821 | Remote Similarity | NPD2256 | Clinical (unspecified phase) |
0.5814 | Remote Similarity | NPD8590 | Approved |
0.5806 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.5781 | Remote Similarity | NPD7331 | Phase 2 |
0.5769 | Remote Similarity | NPD4222 | Approved |
0.5769 | Remote Similarity | NPD39 | Approved |
0.5769 | Remote Similarity | NPD3174 | Discontinued |
0.5738 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.5738 | Remote Similarity | NPD9656 | Approved |
0.5686 | Remote Similarity | NPD9019 | Approved |
0.5652 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.5606 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.5606 | Remote Similarity | NPD5360 | Phase 3 |
PubChem CID   | 361941 |
ChEMBL   | CHEMBL1994343 |
ZINC   |
Molecular Weight:   | 298.25 |
ALogP:   | -3.8039 |
MLogP:   | 3.11 |
XLogP:   | 6.214 |
# Rotatable Bonds:   | 18 |
Polar Surface Area:   | 54.37 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 21 |