Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO13372 | Retiboletus retipes | Species | Boletaceae | Eukaryota | UNPD* | |||
NPO12000 | Pelteobagrus nudiceps | NA | NA | NA | UNPD* | |||
NPO12692 | Roldana lobata | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO11650 | Renilla reniformis | Species | Renillidae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | 81846.48 | nM | PubChem BioAssay data set | |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | 53456.44 | nM | PubChem BioAssay data set | |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | 15703.63 | nM | PubChem BioAssay data set | |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | 24490.63 | nM | PubChem BioAssay data set | |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | 38194.43 | nM | PubChem BioAssay data set | |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 14256.08 | nM | PubChem BioAssay data set | |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | 73790.42 | nM | PubChem BioAssay data set | |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | 29716.66 | nM | PubChem BioAssay data set | |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | 38994.2 | nM | PubChem BioAssay data set | |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | 13551.89 | nM | PubChem BioAssay data set | |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | 63826.35 | nM | PubChem BioAssay data set | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | 32583.67 | nM | PubChem BioAssay data set | |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | 43551.19 | nM | PubChem BioAssay data set | |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | 97051 | nM | PubChem BioAssay data set | |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | 22284.35 | nM | PubChem BioAssay data set | |
NPT572 | Cell Line | DMS-273 | Homo sapiens | GI50 | 12531.41 | nM | PubChem BioAssay data set | |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT385 | Cell Line | SR | Homo sapiens | GI50 | 17701.09 | nM | PubChem BioAssay data set | |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | 41591.06 | nM | PubChem BioAssay data set | |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | 71121.35 | nM | PubChem BioAssay data set | |
NPT573 | Cell Line | M19-MEL | Homo sapiens | GI50 | 32809.53 | nM | PubChem BioAssay data set | |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | 27733.2 | nM | PubChem BioAssay data set | |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | 30974.19 | nM | PubChem BioAssay data set | |
NPT574 | Cell Line | XF498 | Homo sapiens | GI50 | 49545.02 | nM | PubChem BioAssay data set | |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | 35318.32 | nM | PubChem BioAssay data set | |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | 35563.13 | nM | PubChem BioAssay data set | |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | 52360.04 | 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 | 46238.1 | nM | PubChem BioAssay data set | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | 31477.48 | nM | PubChem BioAssay data set | |
NPT575 | Cell Line | KM-20L2 | Homo sapiens | GI50 | 26730.06 | nM | PubChem BioAssay data set | |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | 26730.06 | nM | PubChem BioAssay data set | |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | 33265.96 | nM | PubChem BioAssay data set | |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | 13963.68 | nM | PubChem BioAssay data set | |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | 4395.42 | nM | PubChem BioAssay data set | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | 28641.78 | nM | PubChem BioAssay data set | |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | 53579.67 | nM | PubChem BioAssay data set | |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | 6546.36 | nM | PubChem BioAssay data set | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | 30974.19 | nM | PubChem BioAssay data set | |
NPT731 | Cell Line | LXFL 529 | Homo sapiens | GI50 | 44977.99 | nM | PubChem BioAssay data set | |
NPT576 | Cell Line | DMS-114 | Homo sapiens | GI50 | 29991.63 | nM | PubChem BioAssay data set | |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | 26001.6 | nM | PubChem BioAssay data set | |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | 40926.07 | nM | PubChem BioAssay data set | |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | 25527.01 | nM | PubChem BioAssay data set | |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | 23334.58 | nM | PubChem BioAssay data set | |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | 39264.49 | nM | PubChem BioAssay data set | |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | 39719.15 | nM | PubChem BioAssay data set | |
NPT578 | Cell Line | SNB-78 | Homo sapiens | GI50 | 36224.3 | nM | PubChem BioAssay data set | |
NPT579 | Cell Line | DLD-1 | Homo sapiens | GI50 | 8165.82 | nM | PubChem BioAssay data set | |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | 29308.93 | nM | PubChem BioAssay data set | |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | 20749.14 | nM | PubChem BioAssay data set | |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | 43451.02 | nM | PubChem BioAssay data set | |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | 34040.82 | nM | PubChem BioAssay data set | |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | 21777.1 | nM | PubChem BioAssay data set | |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | 13243.42 | nM | PubChem BioAssay data set | |
NPT732 | Cell Line | HOP-18 | Homo sapiens | GI50 | 1584.89 | 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 NPC221877 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 |
---|---|---|
0.8692 | High Similarity | NPC472171 |
0.8611 | High Similarity | NPC472172 |
0.7857 | Intermediate Similarity | NPC173019 |
0.6981 | Remote Similarity | NPC195713 |
0.6975 | Remote Similarity | NPC472170 |
0.696 | Remote Similarity | NPC32356 |
0.6667 | Remote Similarity | NPC124576 |
0.6585 | Remote Similarity | NPC475086 |
0.6552 | Remote Similarity | NPC321956 |
0.6518 | Remote Similarity | NPC23837 |
0.6471 | Remote Similarity | NPC474934 |
0.6466 | Remote Similarity | NPC71853 |
0.6435 | Remote Similarity | NPC2751 |
0.6422 | Remote Similarity | NPC8981 |
0.6417 | Remote Similarity | NPC95755 |
0.6393 | Remote Similarity | NPC24122 |
0.6379 | Remote Similarity | NPC8002 |
0.6379 | Remote Similarity | NPC259134 |
0.6379 | Remote Similarity | NPC99886 |
0.6379 | Remote Similarity | NPC177844 |
0.6372 | Remote Similarity | NPC125306 |
0.6371 | Remote Similarity | NPC475269 |
0.6348 | Remote Similarity | NPC206876 |
0.6281 | Remote Similarity | NPC470161 |
0.626 | Remote Similarity | NPC300166 |
0.625 | Remote Similarity | NPC175376 |
0.6239 | Remote Similarity | NPC302546 |
0.623 | Remote Similarity | NPC100870 |
0.6167 | Remote Similarity | NPC471581 |
0.616 | Remote Similarity | NPC241224 |
0.6159 | Remote Similarity | NPC470008 |
0.6154 | Remote Similarity | NPC157213 |
0.6154 | Remote Similarity | NPC47422 |
0.6129 | Remote Similarity | NPC475115 |
0.608 | Remote Similarity | NPC12870 |
0.608 | Remote Similarity | NPC298224 |
0.608 | Remote Similarity | NPC24327 |
0.6063 | Remote Similarity | NPC113457 |
0.6063 | Remote Similarity | NPC42471 |
0.605 | Remote Similarity | NPC318429 |
0.6032 | Remote Similarity | NPC38079 |
0.6032 | Remote Similarity | NPC108875 |
0.6032 | Remote Similarity | NPC38209 |
0.6032 | Remote Similarity | NPC292792 |
0.6016 | Remote Similarity | NPC175298 |
0.6 | Remote Similarity | NPC84325 |
0.5984 | Remote Similarity | NPC470393 |
0.5984 | Remote Similarity | NPC473855 |
0.5969 | Remote Similarity | NPC75440 |
0.5968 | Remote Similarity | NPC275104 |
0.5968 | Remote Similarity | NPC471576 |
0.5952 | Remote Similarity | NPC305205 |
0.5938 | Remote Similarity | NPC326801 |
0.5938 | Remote Similarity | NPC1065 |
0.5938 | Remote Similarity | NPC473653 |
0.5923 | Remote Similarity | NPC474272 |
0.592 | Remote Similarity | NPC13755 |
0.5906 | Remote Similarity | NPC12987 |
0.5906 | Remote Similarity | NPC474603 |
0.5902 | Remote Similarity | NPC16649 |
0.5902 | Remote Similarity | NPC114325 |
0.5891 | Remote Similarity | NPC233320 |
0.5891 | Remote Similarity | NPC251306 |
0.5891 | Remote Similarity | NPC186469 |
0.5887 | Remote Similarity | NPC313918 |
0.5878 | Remote Similarity | NPC2682 |
0.5878 | Remote Similarity | NPC303521 |
0.5878 | Remote Similarity | NPC475852 |
0.5878 | Remote Similarity | NPC31279 |
0.5873 | Remote Similarity | NPC12714 |
0.5873 | Remote Similarity | NPC310905 |
0.5873 | Remote Similarity | NPC307425 |
0.5873 | Remote Similarity | NPC51633 |
0.5859 | Remote Similarity | NPC227255 |
0.5859 | Remote Similarity | NPC238115 |
0.5859 | Remote Similarity | NPC42383 |
0.5846 | Remote Similarity | NPC201959 |
0.5846 | Remote Similarity | NPC97811 |
0.5827 | Remote Similarity | NPC179686 |
0.5827 | Remote Similarity | NPC192596 |
0.5827 | Remote Similarity | NPC80241 |
0.5827 | Remote Similarity | NPC301641 |
0.582 | Remote Similarity | NPC233791 |
0.5816 | Remote Similarity | NPC475082 |
0.5814 | Remote Similarity | NPC30416 |
0.5804 | Remote Similarity | NPC158737 |
0.5802 | Remote Similarity | NPC234639 |
0.5802 | Remote Similarity | NPC127326 |
0.5794 | Remote Similarity | NPC156768 |
0.5794 | Remote Similarity | NPC107101 |
0.5781 | Remote Similarity | NPC109637 |
0.5781 | Remote Similarity | NPC2518 |
0.5781 | Remote Similarity | NPC283546 |
0.5778 | Remote Similarity | NPC296526 |
0.5775 | Remote Similarity | NPC83301 |
0.5772 | Remote Similarity | NPC321285 |
0.5769 | Remote Similarity | NPC35543 |
0.5769 | Remote Similarity | NPC194034 |
0.5758 | Remote Similarity | NPC231251 |
0.5758 | Remote Similarity | NPC473809 |
0.5758 | Remote Similarity | NPC25067 |
0.5758 | Remote Similarity | NPC137685 |
0.5758 | Remote Similarity | NPC88868 |
0.5746 | Remote Similarity | NPC35344 |
0.5746 | Remote Similarity | NPC165106 |
0.5746 | Remote Similarity | NPC141003 |
0.5745 | Remote Similarity | NPC472888 |
0.5736 | Remote Similarity | NPC288760 |
0.5736 | Remote Similarity | NPC128730 |
0.5736 | Remote Similarity | NPC8302 |
0.5734 | Remote Similarity | NPC141059 |
0.5725 | Remote Similarity | NPC245115 |
0.5725 | Remote Similarity | NPC241549 |
0.5725 | Remote Similarity | NPC291837 |
0.5714 | Remote Similarity | NPC314803 |
0.5714 | Remote Similarity | NPC132725 |
0.5714 | Remote Similarity | NPC195873 |
0.5714 | Remote Similarity | NPC23332 |
0.5714 | Remote Similarity | NPC8547 |
0.5714 | Remote Similarity | NPC21890 |
0.5714 | Remote Similarity | NPC275627 |
0.5714 | Remote Similarity | NPC257124 |
0.5714 | Remote Similarity | NPC307039 |
0.5714 | Remote Similarity | NPC156840 |
0.5714 | Remote Similarity | NPC173746 |
0.5704 | Remote Similarity | NPC18449 |
0.5704 | Remote Similarity | NPC276737 |
0.5704 | Remote Similarity | NPC121783 |
0.5704 | Remote Similarity | NPC34902 |
0.5704 | Remote Similarity | NPC22610 |
0.5693 | Remote Similarity | NPC25648 |
0.5692 | Remote Similarity | NPC326447 |
0.5692 | Remote Similarity | NPC176971 |
0.5688 | Remote Similarity | NPC105991 |
0.5685 | Remote Similarity | NPC271208 |
0.5685 | Remote Similarity | NPC233224 |
0.5683 | Remote Similarity | NPC344161 |
0.5683 | Remote Similarity | NPC246214 |
0.5682 | Remote Similarity | NPC259554 |
0.5682 | Remote Similarity | NPC82016 |
0.5672 | Remote Similarity | NPC199462 |
0.5662 | Remote Similarity | NPC475815 |
0.5662 | Remote Similarity | NPC53906 |
0.5662 | Remote Similarity | NPC185541 |
0.5662 | Remote Similarity | NPC47194 |
0.5662 | Remote Similarity | NPC464 |
0.5662 | Remote Similarity | NPC473264 |
0.5662 | Remote Similarity | NPC167934 |
0.5662 | Remote Similarity | NPC808 |
0.5662 | Remote Similarity | NPC283169 |
0.5652 | Remote Similarity | NPC206007 |
0.5652 | Remote Similarity | NPC329980 |
0.5649 | Remote Similarity | NPC151530 |
0.5649 | Remote Similarity | NPC157473 |
0.5649 | Remote Similarity | NPC258171 |
0.5649 | Remote Similarity | NPC227894 |
0.5646 | Remote Similarity | NPC82111 |
0.5646 | Remote Similarity | NPC227160 |
0.5639 | Remote Similarity | NPC94045 |
0.5639 | Remote Similarity | NPC168657 |
0.5639 | Remote Similarity | NPC106141 |
0.5639 | Remote Similarity | NPC183648 |
0.563 | Remote Similarity | NPC109241 |
0.563 | Remote Similarity | NPC26524 |
0.563 | Remote Similarity | NPC204120 |
0.563 | Remote Similarity | NPC303522 |
0.562 | Remote Similarity | NPC9341 |
0.562 | Remote Similarity | NPC33900 |
0.562 | Remote Similarity | NPC476031 |
0.562 | Remote Similarity | NPC54507 |
0.562 | Remote Similarity | NPC476014 |
0.562 | Remote Similarity | NPC141090 |
0.562 | Remote Similarity | NPC150624 |
0.562 | Remote Similarity | NPC229147 |
0.562 | Remote Similarity | NPC19290 |
0.562 | Remote Similarity | NPC81067 |
0.562 | Remote Similarity | NPC85292 |
0.5615 | Remote Similarity | NPC473393 |
0.5615 | Remote Similarity | NPC307875 |
0.5615 | Remote Similarity | NPC17537 |
0.5614 | Remote Similarity | NPC299367 |
0.5612 | Remote Similarity | NPC119949 |
0.5606 | Remote Similarity | NPC146530 |
0.5606 | Remote Similarity | NPC309982 |
0.5603 | Remote Similarity | NPC216929 |
0.5603 | Remote Similarity | NPC312713 |
0.5603 | Remote Similarity | NPC172676 |
0.5603 | Remote Similarity | NPC126935 |
0.5603 | Remote Similarity | NPC65933 |
0.5603 | Remote Similarity | NPC57268 |
0.56 | Remote Similarity | NPC146316 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC221877 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 |
---|---|---|---|
0.6871 | Remote Similarity | NPD6813 | Clinical (unspecified phase) |
0.6643 | Remote Similarity | NPD442 | Discontinued |
0.6622 | Remote Similarity | NPD2901 | Approved |
0.6622 | Remote Similarity | NPD2900 | Approved |
0.662 | Remote Similarity | NPD2862 | Discontinued |
0.6617 | Remote Similarity | NPD1244 | Clinical (unspecified phase) |
0.6617 | Remote Similarity | NPD1877 | Discontinued |
0.6565 | Remote Similarity | NPD446 | Clinical (unspecified phase) |
0.6494 | Remote Similarity | NPD1295 | Clinical (unspecified phase) |
0.6333 | Remote Similarity | NPD6890 | Discontinued |
0.6268 | Remote Similarity | NPD4101 | Phase 1 |
0.6211 | Remote Similarity | NPD1194 | Discontinued |
0.6188 | Remote Similarity | NPD5668 | Clinical (unspecified phase) |
0.6154 | Remote Similarity | NPD9295 | Approved |
0.6071 | Remote Similarity | NPD1469 | Clinical (unspecified phase) |
0.6065 | Remote Similarity | NPD1642 | Discontinued |
0.6061 | Remote Similarity | NPD6597 | Approved |
0.6061 | Remote Similarity | NPD6598 | Approved |
0.605 | Remote Similarity | NPD9365 | Approved |
0.6047 | Remote Similarity | NPD5451 | Approved |
0.6031 | Remote Similarity | NPD1105 | Clinical (unspecified phase) |
0.5949 | Remote Similarity | NPD487 | Discontinued |
0.5949 | Remote Similarity | NPD1006 | Clinical (unspecified phase) |
0.5921 | Remote Similarity | NPD7440 | Discontinued |
0.5915 | Remote Similarity | NPD7015 | Phase 2 |
0.5915 | Remote Similarity | NPD7016 | Phase 3 |
0.5909 | Remote Similarity | NPD1279 | Clinical (unspecified phase) |
0.5906 | Remote Similarity | NPD5085 | Clinical (unspecified phase) |
0.5906 | Remote Similarity | NPD6800 | Clinical (unspecified phase) |
0.5902 | Remote Similarity | NPD9296 | Approved |
0.5871 | Remote Similarity | NPD8012 | Clinical (unspecified phase) |
0.5862 | Remote Similarity | NPD3058 | Clinical (unspecified phase) |
0.5846 | Remote Similarity | NPD2684 | Approved |
0.5828 | Remote Similarity | NPD3599 | Approved |
0.5828 | Remote Similarity | NPD4127 | Clinical (unspecified phase) |
0.5821 | Remote Similarity | NPD9299 | Approved |
0.5817 | Remote Similarity | NPD6066 | Clinical (unspecified phase) |
0.5814 | Remote Similarity | NPD968 | Approved |
0.5797 | Remote Similarity | NPD2107 | Clinical (unspecified phase) |
0.5782 | Remote Similarity | NPD4340 | Discontinued |
0.5769 | Remote Similarity | NPD5373 | Approved |
0.5769 | Remote Similarity | NPD290 | Approved |
0.5769 | Remote Similarity | NPD5374 | Approved |
0.5753 | Remote Similarity | NPD4404 | Approved |
0.5748 | Remote Similarity | NPD291 | Approved |
0.5746 | Remote Similarity | NPD5283 | Phase 1 |
0.5714 | Remote Similarity | NPD228 | Approved |
0.5714 | Remote Similarity | NPD6374 | Clinical (unspecified phase) |
0.5706 | Remote Similarity | NPD2745 | Approved |
0.5706 | Remote Similarity | NPD2746 | Clinical (unspecified phase) |
0.5705 | Remote Similarity | NPD5886 | Approved |
0.5705 | Remote Similarity | NPD41 | Approved |
0.5705 | Remote Similarity | NPD2236 | Approved |
0.5696 | Remote Similarity | NPD6055 | Clinical (unspecified phase) |
0.5695 | Remote Similarity | NPD1803 | Phase 3 |
0.5692 | Remote Similarity | NPD3134 | Approved |
0.5689 | Remote Similarity | NPD730 | Discontinued |
0.5686 | Remote Similarity | NPD7976 | Clinical (unspecified phase) |
0.568 | Remote Similarity | NPD1672 | Phase 2 |
0.5672 | Remote Similarity | NPD5535 | Approved |
0.5672 | Remote Similarity | NPD821 | Approved |
0.5672 | Remote Similarity | NPD7843 | Approved |
0.5667 | Remote Similarity | NPD3846 | Clinical (unspecified phase) |
0.5662 | Remote Similarity | NPD2557 | Approved |
0.5655 | Remote Similarity | NPD682 | Discontinued |
0.5652 | Remote Similarity | NPD6581 | Approved |
0.5652 | Remote Similarity | NPD7330 | Discontinued |
0.5652 | Remote Similarity | NPD6580 | Approved |
0.5649 | Remote Similarity | NPD1358 | Approved |
0.563 | Remote Similarity | NPD1241 | Discontinued |
0.563 | Remote Similarity | NPD1280 | Clinical (unspecified phase) |
0.5621 | Remote Similarity | NPD5698 | Clinical (unspecified phase) |
0.562 | Remote Similarity | NPD3596 | Phase 2 |
0.5612 | Remote Similarity | NPD6830 | Clinical (unspecified phase) |
0.5607 | Remote Similarity | NPD6734 | Clinical (unspecified phase) |
PubChem CID   | 373943 |
ChEMBL   | CHEMBL1970377 |
ZINC   |
Molecular Weight:   | 277.99 |
ALogP:   | 1.72 |
MLogP:   | 2.45 |
XLogP:   | 4.249 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 93.95 |
# H-Bond Aceptor:   | 0 |
# H-Bond Donor:   | 0 |
# Rings:   | 3 |
# Heavy Atoms:   | 17 |